0 B14R2.19 BrC1CC(CC1)Cc2ccccc2 Amb25345569 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.19 Brc1[n][nH]c(Cc2ccccc2)[n]1 Amb24464582 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.19 Brc1[n][s]c(Cc2ccccc2)[n]1 Amb24386167 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.19 Brc1[n]c(Cc2ccccc2)[n]o1 Amb24672529 [0,0,0,0,0,0|2,0,1]=3 4 B14R2.19 Brc1[n]c(Cc2ccccc2)c[s]1 Amb20620357 [0,0,0,0,0,0|1,1,2]=4 5 B14R2.19 Brc1[n]oc(Cc2ccccc2)[n]1 Amb23449478 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.19 Brc1cc[n](Cc2ccccc2)[n]1 Amb23539557 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.19 Brc1ncn(n1)Cc2ccccc2 Amb13777487 [0,0,0,0,0,0|3,0,1]=4 8 B14R2.19 C=C1CN(Cc2ccccc2)CC1 Amb19334016 [0,0,0,0,0,0|4,0,0]=4 9 B14R2.19 CC1CCC(Cc2ccccc2)N1 Amb24606534 [0,0,0,0,0,0|2,0,2]=4 10 B14R2.19 CC=1CCC(C1)Nc2ccccc2 Amb25096401 [0,0,0,0,0,0|4,0,0]=4 11 B14R2.19 C[C@@H]1CC[C@@H](Cc2ccccc2)N1 Amb24519291 [0,0,0,0,0,0|2,0,2]=4 12 B14R2.19 C[C@H]1CC[C@@H](Cc2ccccc2)N1 Amb24608882 [0,0,0,0,0,0|2,0,2]=4 13 B14R2.19 Cc1[n]c(Cc2c[n]ccc2)[n]o1 Amb24525321 [0,0,0,0,0,0|3,0,1]=4 14 B14R2.19 Cc1[n]c(Cc2cc[n]cc2)[n]o1 Amb24466700 [0,0,0,0,0,0|3,0,1]=4 15 B14R2.19 Cc1[n]c(Cc2ccccc2)[n]o1 Amb25760165 [0,0,0,0,0,0|2,0,1]=3 16 B14R2.19 Cc1[n]c(Nc2ccccc2)[n]o1 Amb25833235 [0,0,0,0,0,0|3,0,1]=4 17 B14R2.19 Cc1cc[n](Cc2ccccc2)[n]1 Amb25227705 [0,0,0,0,0,0|3,0,1]=4 18 B14R2.19 Clc1[n]c(Cc2c[n]ccc2)[n]o1 Amb18324969 [0,0,0,0,0,0|3,0,1]=4 19 B14R2.19 Clc1[n]c(Cc2cc[n]cc2)[n]o1 Amb18324968 [0,0,0,0,0,0|3,0,1]=4 20 B14R2.19 Clc1[n]c(Cc2cccc[n]2)[n]o1 Amb18324967 [0,0,0,0,0,0|3,0,1]=4 21 B14R2.19 Clc1[n]c(Cc2ccccc2)[n][s]1 Amb19895129 [0,0,0,0,0,0|2,1,1]=4 22 B14R2.19 Clc1[n]c(Cc2ccccc2)[n]o1 Amb18324818 [0,0,0,0,0,0|2,0,1]=3 23 B14R2.19 Clc1[n]c(Cc2ccccc2)c[s]1 Amb24589195 [0,0,0,0,0,0|1,1,2]=4 24 B14R2.19 Clc1n[nH]c(n1)Cc2ccccc2 Amb15701242 [0,0,0,0,0,0|3,0,1]=4 25 B14R2.19 Clc1ncn(n1)Cc2ccccc2 Amb19134566 [0,0,0,0,0,0|3,0,1]=4 26 B14R2.19 Ic1[n][n](Cc2ccccc2)c[n]1 Amb25720816 [0,0,0,0,0,0|3,0,1]=4 27 B14R2.19 Ic1cc[n](Cc2ccccc2)[n]1 Amb25702855 [0,0,0,0,0,0|3,0,1]=4 28 B14R2.19 NC1=NC(Cc2c[n]cc[n]2)CS1 Amb24441680 [0,0,0,0,0,0|2,1,0]=3 29 B14R2.19 NC1=NC(Cc2cc[n]cc2)CS1 Amb24488817 [0,0,0,0,0,0|1,1,0]=2 30 B14R2.19 NC1=NC(Cc2ccccc2)CO1 Amb23449444 [0,0,0,0,0,0|0,0,0]=0 31 B14R2.19 NC1=N[C@H](Cc2c[n]cc[n]2)CS1 Amb24375479 [0,0,0,0,0,0|2,1,0]=3 32 B14R2.19 NC1=N[C@H](Cc2c[n]ccc2)CS1 Amb25670320 [0,0,0,0,0,0|1,1,0]=2 33 B14R2.19 NC1=N[C@H](Cc2cc[n]cc2)CS1 Amb25364144 [0,0,0,0,0,0|1,1,0]=2 34 B14R2.19 NC1=N[C@H](Cc2ccccc2)CS1 Amb25729987 [0,0,0,0,0,0|0,1,0]=1 35 B14R2.19 NC1=N\C(=N/c2ccccc2)\SS1 Amb20665099 [0,0,0,0,0,0|2,1,1]=4 36 B14R2.19 NC1CC(CC1)Cc2cc[n]cc2 Amb24381129 [0,0,0,0,0,0|3,0,1]=4 37 B14R2.19 NC1CC(CC1)Cc2cccc[n]2 Amb24419541 [0,0,0,0,0,0|3,0,1]=4 38 B14R2.19 NC1CC(CC1)Cc2ccccc2 Amb25337996 [0,0,0,0,0,0|2,0,1]=3 39 B14R2.19 NC1CCC(Cc2ccccc2)=C1 Amb25363684 [0,0,0,0,0,0|2,0,2]=4 40 B14R2.19 NC1CCN(C1)Cc2ccccc2 Amb1680318 [0,0,0,0,0,0|3,0,1]=4 41 B14R2.19 NC1CN(Cc2ccccc2)CC1 Amb24064582 [0,0,0,0,0,0|3,0,1]=4 42 B14R2.19 NC=1NCC(N1)Oc2ccccc2 Amb24396134 [0,0,0,0,0,0|2,0,0]=2 43 B14R2.19 N[C@@H]1CCN(Cc2ccccc2)C1 Amb17739648 [0,0,0,0,0,0|3,0,1]=4 44 B14R2.19 N[C@@H]1CN(Cc2ccccc2)CC1 Amb18548682 [0,0,0,0,0,0|3,0,1]=4 45 B14R2.19 N[C@H]1CN(Cc2ccccc2)CC1 Amb20242773 [0,0,0,0,0,0|3,0,1]=4 46 B14R2.19 Nc1[nH]cc(Cc2ccccc2)[n]1 Amb25710769 [0,0,0,0,0,0|1,0,2]=3 47 B14R2.19 Nc1[nH]nc(c1)Cc2ccccc2 Amb17232959 [0,0,0,0,0,0|3,0,1]=4 48 B14R2.19 Nc1[n][nH]c([n]1)Oc2ccccc2 Amb23481431 [0,0,0,0,0,0|3,0,1]=4 49 B14R2.19 Nc1[n][nH]c([n]1)Sc2ccccc2 Amb23481430 [0,0,0,0,0,0|3,0,1]=4 50 B14R2.19 Nc1[n][s]c(Cc2c[n]ccc2)[n]1 Amb18190591 [0,0,0,0,0,0|3,0,1]=4 51 B14R2.19 Nc1[n][s]c(Cc2cc[n]cc2)[n]1 Amb18190593 [0,0,0,0,0,0|3,0,1]=4 52 B14R2.19 Nc1[n][s]c(Cc2ccccc2)[n]1 Amb18190794 [0,0,0,0,0,0|2,0,1]=3 53 B14R2.19 Nc1[n]c(Cc2c[n]ccc2)[n][s]1 Amb18962277 [0,0,0,0,0,0|2,1,1]=4 54 B14R2.19 Nc1[n]c(Cc2c[n]ccc2)[n]o1 Amb18962286 [0,0,0,0,0,0|2,0,1]=3 55 B14R2.19 Nc1[n]c(Cc2cc[n]cc2)[n][s]1 Amb18962282 [0,0,0,0,0,0|2,1,1]=4 56 B14R2.19 Nc1[n]c(Cc2cc[n]cc2)[n]o1 Amb18962280 [0,0,0,0,0,0|2,0,1]=3 57 B14R2.19 Nc1[n]c(Cc2cccc[n]2)[n]o1 Amb18961688 [0,0,0,0,0,0|2,0,1]=3 58 B14R2.19 Nc1[n]c(Cc2cccc[n]2)c[s]1 Amb24461632 [0,0,0,0,0,0|1,1,2]=4 59 B14R2.19 Nc1[n]c(Cc2ccccc2)[n]o1 Amb18961686 [0,0,0,0,0,0|1,0,1]=2 60 B14R2.19 Nc1[n]c(Cc2ccccc2)co1 Amb22499416 [0,0,0,0,0,0|0,0,2]=2 61 B14R2.19 Nc1[n]c(Nc2ccccc2)[n]o1 Amb18647955 [0,0,0,0,0,0|2,0,1]=3 62 B14R2.19 Nc1[n]c([n][s]1)Oc2ccccc2 Amb18651481 [0,0,0,0,0,0|2,1,1]=4 63 B14R2.19 Nc1[n]oc(Cc2ccccc2)[n]1 Amb24083228 [0,0,0,0,0,0|2,0,1]=3 64 B14R2.19 Nc1[n]oc(Cc2ccccc2)[n]1 Amb24533907 [0,0,0,0,0,0|2,0,1]=3 65 B14R2.19 Nc1[n]oc(Nc2ccccc2)[n]1 Amb18647953 [0,0,0,0,0,0|3,0,1]=4 66 B14R2.19 Nc1c[n+](Cc2ccccc2)[n]o1 Amb19650260 [0,0,0,0,0,0|3,0,0]=3 67 B14R2.19 Nc1c[n](Cc2ccccc2)[n][n]1 Amb20407651 [0,0,0,0,0,0|4,0,0]=4 68 B14R2.19 Nc1c[n](Cc2ccccc2)c[n]1 Amb18197954 [0,0,0,0,0,0|3,0,1]=4 69 B14R2.19 Nc1c[n][n](Cc2ccccc2)[n]1 Amb18197582 [0,0,0,0,0,0|3,0,0]=3 70 B14R2.19 Nc1c[n]c(Cc2ccccc2)[s]1 Amb18190915 [0,0,0,0,0,0|3,0,1]=4 71 B14R2.19 Nc1c[n]c(Cc2ccccc2)o1 Amb18065509 [0,0,0,0,0,0|3,0,1]=4 72 B14R2.19 Nc1c[s]c(Cc2cc[n]cc2)[n]1 Amb24688745 [0,0,0,0,0,0|3,0,1]=4 73 B14R2.19 Nc1c[s]c(Cc2cccc[n]2)[n]1 Amb24491182 [0,0,0,0,0,0|3,0,1]=4 74 B14R2.19 Nc1c[s]c(Cc2ccccc2)[n]1 Amb24491056 [0,0,0,0,0,0|2,0,1]=3 75 B14R2.19 Nc1c[s]c(Cc2ccccc2)c1 Amb18143820 [0,0,0,0,0,0|3,0,1]=4 76 B14R2.19 Nc1cc(Cc2ccccc2)[s][n]1 Amb25305011 [0,0,0,0,0,0|3,0,1]=4 77 B14R2.19 Nc1ccc(Cc2ccccc2)o1 Amb18674075 [0,0,0,0,0,0|2,0,2]=4 78 B14R2.19 Nc1ccn(n1)Cc2ccccc2 Amb10609213 [0,0,0,0,0,0|2,0,1]=3 79 B14R2.19 Nc1ccn(n1)Cc2ccccn2 Amb13951994 [0,0,0,0,0,0|3,0,1]=4 80 B14R2.19 Nc1ccn(n1)Cc2cccnc2 Amb13951995 [0,0,0,0,0,0|3,0,1]=4 81 B14R2.19 Nc1ccn(n1)Cc2ccncc2 Amb13951997 [0,0,0,0,0,0|3,0,1]=4 82 B14R2.19 Nc1cnn(c1)Cc2ccccc2 Amb17622120 [0,0,0,0,0,0|4,0,0]=4 83 B14R2.19 Nc1ncc(s1)Cc2ccccc2 Amb10610422 [0,0,0,0,0,0|2,0,2]=4 84 B14R2.19 Nc1ncc(s1)Cc2ccccc2 Amb1121616 [0,0,0,0,0,0|2,0,2]=4 85 B14R2.19 Nc1ncn(n1)Cc2ccccc2 Amb1946393 [0,0,0,0,0,0|2,0,1]=3 86 B14R2.19 Nc1ncn(n1)Cc2ccccn2 Amb13951996 [0,0,0,0,0,0|3,0,1]=4 87 B14R2.19 Nc1ncn(n1)Cc2cccnc2 Amb13951993 [0,0,0,0,0,0|3,0,1]=4 88 B14R2.19 Nc1ncn(n1)Cc2ccncc2 Amb13952266 [0,0,0,0,0,0|3,0,1]=4 89 B14R2.19 Nc1nnc(o1)Cc2ccccc2 Amb1108773 [0,0,0,0,0,0|3,0,1]=4 90 B14R2.19 Nc1onc(c1)Cc2ccccc2 Amb17233004 [0,0,0,0,0,0|2,0,1]=3 91 B14R2.19 Nc1scc(n1)Cc2ccccc2 Amb1264076 [0,0,0,0,0,0|0,1,2]=3 92 B14R2.19 Nc1snc(n1)Nc2ccccc2 Amb16225738 [0,0,0,0,0,0|2,1,1]=4 93 B14R2.19 Nc1snc(n1)Sc2ccccc2 Amb13881242 [0,0,0,0,0,0|2,1,1]=4 94 B14R2.19 O=C1C=C(CO1)Nc2ccccc2 Amb22481357 [0,0,0,0,0,0|3,0,1]=4 95 B14R2.19 O=C1C=C(CO1)Sc2ccccc2 Amb21928058 [0,0,0,0,0,0|3,0,1]=4 96 B14R2.19 O=C1CC(CC1)Sc2ccccc2 Amb25815229 [0,0,0,0,0,0|4,0,0]=4 97 B14R2.19 O=C1CC(Cc2cc[n]cc2)CN1 Amb24349657 [0,0,0,0,0,0|4,0,0]=4 98 B14R2.19 O=C1CC(Cc2ccc[n]c2)CC1 Amb25684374 [0,0,0,0,0,0|4,0,0]=4 99 B14R2.19 O=C1CC(Cc2ccccc2)CC1 Amb24455173 [0,0,0,0,0,0|3,0,0]=3 100 B14R2.19 O=C1CCC(Cc2cccc[n]2)N1 Amb25763357 [0,0,0,0,0,0|3,0,1]=4 101 B14R2.19 O=C1CCC(Cc2ccccc2)O1 Amb20669272 [0,0,0,0,0,0|3,0,0]=3 102 B14R2.19 O=C1CCN(C1)Cc2ccccc2 Amb1680105 [0,0,0,0,0,0|4,0,0]=4 103 B14R2.19 O=C1CCN(N1)Cc2ccccc2 Amb2423894 [0,0,0,0,0,0|3,0,1]=4 104 B14R2.19 O=C1CC[C@@H](Cc2ccccc2)N1 Amb25068439 [0,0,0,0,0,0|2,0,1]=3 105 B14R2.19 O=C1CC[C@H](Cc2ccccc2)N1 Amb25365168 [0,0,0,0,0,0|2,0,1]=3 106 B14R2.19 O=C1CN(Cc2ccccc2)CC1 Amb18048933 [0,0,0,0,0,0|4,0,0]=4 107 B14R2.19 O=C1C[C@@H](Cc2ccccc2)CC1 Amb24723978 [0,0,0,0,0,0|3,0,0]=3 108 B14R2.19 O=C1C\C(\CO1)=C\c2ccccc2 Amb24712490 [0,0,0,0,0,0|2,0,2]=4 109 B14R2.19 O=C1NC(Cc2c[n]c[n]c2)CO1 Amb24741029 [0,0,0,0,0,0|3,0,1]=4 110 B14R2.19 O=C1NC(Cc2cc[n]c[n]2)CO1 Amb25082675 [0,0,0,0,0,0|3,0,1]=4 111 B14R2.19 O=C1NC(Cc2ccc[n][n]2)CO1 Amb25192454 [0,0,0,0,0,0|3,0,1]=4 112 B14R2.19 O=C1NC(Cc2cccc[n]2)CO1 Amb25288331 [0,0,0,0,0,0|2,0,1]=3 113 B14R2.19 O=C1NC(Cc2ccccc2)=NO1 Amb18184032 [0,0,0,0,0,0|2,0,2]=4 114 B14R2.19 O=C1NCC(C1)Cc2ccccc2 Amb10608007 [0,0,0,0,0,0|3,0,0]=3 115 B14R2.19 O=C1NCC(C[n+]2ccccc2)O1 Amb25046769 [0,0,0,0,0,0|4,0,0]=4 116 B14R2.19 O=C1NCC(Cc2ccccc2)N1 Amb18061673 [0,0,0,0,0,0|2,0,1]=3 117 B14R2.19 O=C1NCC(Cc2ccccc2)O1 Amb18061675 [0,0,0,0,0,0|3,0,0]=3 118 B14R2.19 O=C1N[C@@H](Cc2ccccc2)CS1 Amb19887642 [0,0,0,0,0,0|1,1,1]=3 119 B14R2.19 O=C1N[C@H](Cc2ccccc2)CS1 Amb19888420 [0,0,0,0,0,0|1,1,1]=3 120 B14R2.19 O=C1OC(Cc2ccccc2)CS1 Amb25726403 [0,0,0,0,0,0|2,1,0]=3 121 B14R2.19 O=C1OCC(O1)Sc2cc[n]cc2 Amb24410445 [0,0,0,0,0,0|4,0,0]=4 122 B14R2.19 O=C1OCC(O1)Sc2cccc[n]2 Amb25749218 [0,0,0,0,0,0|4,0,0]=4 123 B14R2.19 O=C1OCC(O1)Sc2ccccc2 Amb25749160 [0,0,0,0,0,0|3,0,0]=3 124 B14R2.19 O=C1ON=C(C1)Cc2ccccc2 Amb1099037 [0,0,0,0,0,0|3,0,1]=4 125 B14R2.19 O=S1N=C(CO1)Nc2ccccc2 Amb25095293 [0,0,0,0,0,0|3,0,1]=4 126 B14R2.19 OC1CC(Cc2ccccc2)CO1 Amb22752560 [0,0,0,0,0,0|2,0,1]=3 127 B14R2.19 O[C@@H]1C[C@@H](CC1)Cc2ccccc2 Amb25271477 [0,0,0,0,0,0|3,0,1]=4 128 B14R2.19 Oc1c[nH]c(Cc2ccccc2)[n]1 Amb24675070 [0,0,0,0,0,0|3,0,1]=4 129 B14R2.19 Oc1cc(Cc2ccccc2)[n]o1 Amb20672899 [0,0,0,0,0,0|3,0,1]=4 130 B14R2.19 S=C1CCN(N1)Cc2ccccc2 Amb10563092 [0,0,0,0,0,0|3,0,1]=4 131 B14R2.19 S=C1N=C(CS1)Cc2ccccc2 Amb19888437 [0,0,0,0,0,0|1,1,1]=3 132 B14R2.19 S=C1NC(Cc2ccccc2)CS1 Amb24079058 [0,0,0,0,0,0|1,1,1]=3 133 B14R2.19 S=C1NCC(Cc2ccccc2)N1 Amb24417734 [0,0,0,0,0,0|2,0,1]=3 134 B14R2.19 S=C1NNC(Cc2ccccc2)=N1 Amb20669593 [0,0,0,0,0,0|3,0,1]=4 135 B14R2.19 Sc1[n]c(Cc2c[n]ccc2)[n]o1 Amb19042019 [0,0,0,0,0,0|3,0,1]=4 136 B14R2.19 Sc1[n]c(Cc2cc[n]cc2)[n]o1 Amb18317743 [0,0,0,0,0,0|3,0,1]=4 137 B14R2.19 Sc1[n]c(Cc2cccc[n]2)[n]o1 Amb18317744 [0,0,0,0,0,0|3,0,1]=4 138 B14R2.19 Sc1[n]c(Cc2ccccc2)[n]o1 Amb18317690 [0,0,0,0,0,0|2,0,1]=3 139 B14R2.19 Sc1[n]c(Cc2ccccc2)co1 Amb25205496 [0,0,0,0,0,0|1,0,2]=3 140 B14R2.19 [NH-]c1c[n+](Cc2ccccc2)[n]o1 Amb19649020 [0,0,0,0,0,0|3,0,1]=4 141 B13R2.64 C(C1CCCC1)c2ccccc2 Amb25116668 [1,0,0,0,0,0|2,0,1]=4 142 B13R2.64 C(C1CCCN1)c2ccccc2 Amb17659145 [1,0,0,0,0,0|1,0,2]=4 143 B13R2.64 C(C1CCN=N1)c2ccccc2 Amb24062003 [1,0,0,0,0,0|2,0,0]=3 144 B13R2.64 C([C@@H]1CCC=C1)c2cccc[n]2 Amb25314318 [1,0,0,0,0,0|3,0,0]=4 145 B13R2.64 C([C@@H]1CCCN1)c2ccccc2 Amb19883945 [1,0,0,0,0,0|1,0,2]=4 146 B13R2.64 C(c1[nH]cc[n]1)c2ccccc2 Amb18332263 [1,0,0,0,0,0|2,0,1]=4 147 B13R2.64 C(c1c[nH]c[n]1)c2ccccc2 Amb24400401 [1,0,0,0,0,0|1,0,2]=4 148 B13R2.64 C(c1c[s]c[n]1)c2ccccc2 Amb25758293 [1,0,0,0,0,0|0,1,2]=4 149 B13R2.64 C(c1ccccc1)C=2CCCN2 Amb24053775 [1,0,0,0,0,0|1,0,2]=4 150 B13R2.64 C(c1ccccc1)C=2CCNN2 Amb25109564 [1,0,0,0,0,0|2,0,1]=4 151 B13R2.64 C(c1ccccc1)[n]2[n]cc[n]2 Amb25715832 [1,0,0,0,0,0|3,0,0]=4 152 B13R2.64 C1C=CC(Cc2ccccc2)N1 Amb25798238 [1,0,0,0,0,0|3,0,0]=4 153 B13R2.64 C1CC(Sc2ccccc2)C=C1 Amb17939289 [1,0,0,0,0,0|3,0,0]=4 154 B13R2.64 C1CNC(C1)Cc2ccccc2 Amb1125550 [1,0,0,0,0,0|1,0,2]=4 155 B13R2.64 C1N=CNC1Cc2ccccc2 Amb25201736 [1,0,0,0,0,0|1,0,1]=3 156 B13R2.64 C1NC(CO1)Cc2ccccc2 Amb18563410 [1,0,0,0,0,0|0,0,2]=3 157 B13R2.64 C1NCCC1Cc2ccccc2 Amb24097496 [1,0,0,0,0,0|2,0,1]=4 158 B13R2.64 C1NCC[C@@H]1Cc2ccccc2 Amb24484248 [1,0,0,0,0,0|2,0,1]=4 159 B13R2.64 C1OCCC1Nc2ccccc2 Amb25310936 [1,0,0,0,0,0|2,0,1]=4 160 B13R2.64 C1OCCC1Oc2ccccc2 Amb24713722 [1,0,0,0,0,0|2,0,1]=4 161 B13R2.64 C1OCCN1Cc2ccccc2 Amb22229191 [1,0,0,0,0,0|2,0,1]=4 162 B13R2.64 c1ccc(cc1)Cc2ncco2 Amb17400052 [1,0,0,0,0,0|2,0,1]=4 163 B15R2.15 BrCc1onc(n1)Cc2ccccc2 Amb16231096 [0,1,0,0,0,0|2,0,1]=4 164 B15R2.15 C=CC1=N[C@@H](Cc2ccccc2)CO1 Amb22747341 [0,1,0,0,0,0|1,0,0]=2 165 B15R2.15 C=Cc1[n]c(Cc2ccccc2)[n]o1 Amb24402523 [0,1,0,0,0,0|2,0,1]=4 166 B15R2.15 CNC1=NC(Cc2ccccc2)CS1 Amb24351509 [0,1,0,0,0,0|0,1,0]=2 167 B15R2.15 CNC1=N[C@@H](Cc2ccccc2)CS1 Amb24716819 [0,1,0,0,0,0|0,1,0]=2 168 B15R2.15 CNc1[n]c(Cc2c[n]ccc2)[n]o1 Amb18993454 [0,1,0,0,0,0|2,0,1]=4 169 B15R2.15 CNc1[n]c(Cc2cc[n]cc2)[n]o1 Amb18993451 [0,1,0,0,0,0|2,0,1]=4 170 B15R2.15 CNc1[n]c(Cc2cccc[n]2)[n]o1 Amb18993447 [0,1,0,0,0,0|2,0,1]=4 171 B15R2.15 CNc1[n]c(Cc2ccccc2)[n]o1 Amb18993445 [0,1,0,0,0,0|1,0,1]=3 172 B15R2.15 CNc1[n]c(Cc2ccccc2)c[s]1 Amb24626567 [0,1,0,0,0,0|0,1,2]=4 173 B15R2.15 CNc1[n]oc(Cc2ccccc2)[n]1 Amb24695283 [0,1,0,0,0,0|2,0,1]=4 174 B15R2.15 CNc1c[s]c(Cc2ccccc2)[n]1 Amb25849086 [0,1,0,0,0,0|2,0,1]=4 175 B15R2.15 CNc1cc[n](Cc2ccccc2)[n]1 Amb25191070 [0,1,0,0,0,0|2,0,1]=4 176 B15R2.15 COC1=NC(CO1)Cc2ccccc2 Amb22549387 [0,1,0,0,0,0|1,0,0]=2 177 B15R2.15 ClCC1=NC(Cc2ccccc2)CO1 Amb25690850 [0,1,0,0,0,0|1,0,0]=2 178 B15R2.15 ClCC1=N[C@H](Cc2ccccc2)CO1 Amb25758763 [0,1,0,0,0,0|1,0,0]=2 179 B15R2.15 ClCc1onc(n1)Cc2ccccc2 Amb1099133 [0,1,0,0,0,0|2,0,1]=4 180 B15R2.15 NCC1CCC(O1)Cc2ccccc2 Amb17595001 [0,1,0,0,0,0|2,0,1]=4 181 B15R2.15 NCc1[nH][n]c(Cc2ccccc2)[n]1 Amb18860478 [0,1,0,0,0,0|2,0,1]=4 182 B15R2.15 NCc1[n][n](Cc2ccccc2)c[n]1 Amb19000691 [0,1,0,0,0,0|2,0,1]=4 183 B15R2.15 NCc1[n]c(Cc2c[n]ccc2)[n]o1 Amb18992490 [0,1,0,0,0,0|2,0,1]=4 184 B15R2.15 NCc1[n]c(Cc2cc[n]cc2)[n]o1 Amb18992470 [0,1,0,0,0,0|2,0,1]=4 185 B15R2.15 NCc1[n]c([n]o1)Oc2ccccc2 Amb24473120 [0,1,0,0,0,0|2,0,1]=4 186 B15R2.15 NCc1c[nH]c(Cc2ccccc2)[n]1 Amb18564434 [0,1,0,0,0,0|2,0,1]=4 187 B15R2.15 NCc1c[s]c(Cc2ccccc2)[n]1 Amb22586755 [0,1,0,0,0,0|2,0,1]=4 188 B15R2.15 NCc1coc(n1)Cc2ccccc2 Amb17401172 [0,1,0,0,0,0|2,0,1]=4 189 B15R2.15 NCc1noc(n1)Cc2ccccc2 Amb10608115 [0,1,0,0,0,0|2,0,1]=4 190 B15R2.15 NCc1onc(n1)Cc2ccccc2 Amb1094153 [0,1,0,0,0,0|1,0,1]=3 191 B15R2.15 NCc1onc(n1)Cc2ccccc2 Amb13951236 [0,1,0,0,0,0|1,0,1]=3 192 B15R2.15 NNc1[n]c(Cc2c[n]ccc2)[n]o1 Amb19073249 [0,1,0,0,0,0|2,0,1]=4 193 B15R2.15 NNc1[n]c(Cc2cc[n]cc2)[n]o1 Amb19073248 [0,1,0,0,0,0|2,0,1]=4 194 B15R2.15 NNc1[n]c(Cc2cccc[n]2)[n]o1 Amb19073247 [0,1,0,0,0,0|2,0,1]=4 195 B15R2.15 NNc1[n]c(Cc2ccccc2)[n]o1 Amb19072897 [0,1,0,0,0,0|1,0,1]=3 196 B15R2.15 O=CC1CC(Cc2ccccc2)CO1 Amb25717694 [0,1,0,0,0,0|2,0,1]=4 197 B15R2.15 O=Cc1[n]c(Cc2ccccc2)[n]o1 Amb18649774 [0,1,0,0,0,0|2,0,1]=4 198 B15R2.98 Brc1ccc(cc1)Cc2noc(c2)N Amb17263171 [0,1,0,0,0,0|2,0,1]=4 199 B15R2.98 Brc1ccc(cc1)Cn2ccc(n2)N Amb1995301 [0,1,0,0,0,0|2,0,1]=4 200 B15R2.98 Brc1ccc(cc1)Cn2cnc(n2)N Amb13951794 [0,1,0,0,0,0|2,0,1]=4 201 B15R2.98 Cc1[n]c(Cc2ccc(Br)cc2)[n]o1 Amb18228267 [0,1,0,0,0,0|2,0,1]=4 202 B15R2.98 Cc1[n]c(Cc2ccc(N)cc2)[n]o1 Amb18863415 [0,1,0,0,0,0|2,0,1]=4 203 B15R2.98 Cc1[n]c(Cc2ccc(N)cc2)[n]o1 Amb25380967 [0,1,0,0,0,0|2,0,1]=4 204 B15R2.98 Cc1[n]c(Cc2ccc(O)cc2)[n]o1 Amb25322845 [0,1,0,0,0,0|2,0,1]=4 205 B15R2.98 Cc1ccc(CC2CC(=O)CC2)cc1 Amb24683397 [0,1,0,0,0,0|3,0,0]=4 206 B15R2.98 Cc1ccc(CC2CCC(=O)N2)cc1 Amb24468945 [0,1,0,0,0,0|2,0,1]=4 207 B15R2.98 Cc1ccc(CC2CCC(N)C2)cc1 Amb25117149 [0,1,0,0,0,0|2,0,1]=4 208 B15R2.98 Cc1ccc(CC2CNC(=O)C2)cc1 Amb25738214 [0,1,0,0,0,0|3,0,0]=4 209 B15R2.98 Cc1ccc(CC2CNC(=O)O2)cc1 Amb25035879 [0,1,0,0,0,0|3,0,0]=4 210 B15R2.98 Cc1ccc(CC2CSC(N)=N2)cc1 Amb24460841 [0,1,0,0,0,0|0,1,0]=2 211 B15R2.98 Cc1ccc(C[C@H]2COC(N)=N2)cc1 Amb24404825 [0,1,0,0,0,0|0,0,0]=1 212 B15R2.98 Cc1ccc(C[n+]2cc(N)o[n]2)cc1 Amb19650262 [0,1,0,0,0,0|3,0,0]=4 213 B15R2.98 Cc1ccc(C[n]2[n][n]c(N)[n]2)cc1 Amb25672400 [0,1,0,0,0,0|3,0,0]=4 214 B15R2.98 Cc1ccc(Cc2[n][s]c(N)[n]2)cc1 Amb18960169 [0,1,0,0,0,0|1,1,1]=4 215 B15R2.98 Cc1ccc(Cc2[n]c(N)[n][s]2)cc1 Amb18782435 [0,1,0,0,0,0|2,0,1]=4 216 B15R2.98 Cc1ccc(Cc2[n]c(N)[n]o2)cc1 Amb18820277 [0,1,0,0,0,0|2,0,1]=4 217 B15R2.98 Cc1ccc(Cc2[n]c(N)c[s]2)cc1 Amb25328162 [0,1,0,0,0,0|2,0,1]=4 218 B15R2.98 Cc1ccc(Cc2[n]oc(N)[n]2)cc1 Amb18961694 [0,1,0,0,0,0|1,0,1]=3 219 B15R2.98 Cc1ccc(cc1)Cc2n[nH]c(n2)N Amb16244481 [0,1,0,0,0,0|2,0,1]=4 220 B15R2.98 Cc1ccc(cc1)Cc2noc(c2)N Amb17234528 [0,1,0,0,0,0|2,0,1]=4 221 B15R2.98 Cc1ccc(cc1)Cn2cnc(n2)N Amb1946343 [0,1,0,0,0,0|2,0,1]=4 222 B15R2.98 Cc1ccc(cc1)Nc2[n]oc(N)[n]2 Amb18650464 [0,1,0,0,0,0|2,0,1]=4 223 B15R2.98 Clc1[n]c(Cc2ccc(Br)cc2)[n]o1 Amb24405466 [0,1,0,0,0,0|2,0,1]=4 224 B15R2.98 Clc1ccc(cc1)Cc2n[nH]c(n2)N Amb16244480 [0,1,0,0,0,0|2,0,1]=4 225 B15R2.98 Clc1ccc(cc1)Cc2noc(c2)N Amb17240112 [0,1,0,0,0,0|2,0,1]=4 226 B15R2.98 Clc1ccc(cc1)Cn2ccc(n2)N Amb1995298 [0,1,0,0,0,0|2,0,1]=4 227 B15R2.98 Fc1ccc(Cc2[n]oc(Cl)[n]2)cc1 Amb19373985 [0,1,0,0,0,0|2,0,1]=4 228 B15R2.98 Fc1ccc(cc1)Cc2[nH]nc(n2)N Amb19134399 [0,1,0,0,0,0|2,0,1]=4 229 B15R2.98 Fc1ccc(cc1)Cc2noc(c2)N Amb17235324 [0,1,0,0,0,0|2,0,1]=4 230 B15R2.98 Fc1ccc(cc1)Cn2ccc(n2)N Amb2154780 [0,1,0,0,0,0|2,0,1]=4 231 B15R2.98 NC1=NC(Cc2ccc(Cl)cc2)CO1 Amb24360401 [0,1,0,0,0,0|0,0,0]=1 232 B15R2.98 NC1CC(CC1)Cc2ccc(F)cc2 Amb25337981 [0,1,0,0,0,0|2,0,1]=4 233 B15R2.98 NC=1CCN(Cc2ccc(Br)cc2)N1 Amb25131966 [0,1,0,0,0,0|2,0,0]=3 234 B15R2.98 NC=1CCN(Cc2ccc(Cl)cc2)N1 Amb25665482 [0,1,0,0,0,0|2,0,0]=3 235 B15R2.98 Nc1[n][nH]c(Cc2ccc(F)cc2)[n]1 Amb22578600 [0,1,0,0,0,0|2,0,1]=4 236 B15R2.98 Nc1[n][n](Cc2ccc(Br)cc2)[n][n]1 Amb24352152 [0,1,0,0,0,0|3,0,0]=4 237 B15R2.98 Nc1[n][n](Cc2ccc(F)cc2)c[n]1 Amb23524996 [0,1,0,0,0,0|2,0,1]=4 238 B15R2.98 Nc1[n][n](Cc2ccc(I)cc2)c[n]1 Amb25828668 [0,1,0,0,0,0|2,0,1]=4 239 B15R2.98 Nc1[n][s]c(Cc2ccc(Br)cc2)[n]1 Amb18690291 [0,1,0,0,0,0|2,0,1]=4 240 B15R2.98 Nc1[n][s]c(Cc2ccc(Cl)cc2)[n]1 Amb18759556 [0,1,0,0,0,0|2,0,1]=4 241 B15R2.98 Nc1[n][s]c(Cc2ccc(F)cc2)[n]1 Amb18775753 [0,1,0,0,0,0|2,0,1]=4 242 B15R2.98 Nc1[n]c(Cc2ccc(Cl)cc2)[n]o1 Amb18961684 [0,1,0,0,0,0|1,0,1]=3 243 B15R2.98 Nc1[n]c(Cc2ccc(O)cc2)c[s]1 Amb25142004 [0,1,0,0,0,0|0,1,2]=4 244 B15R2.98 Nc1[n]c(Nc2ccc(Cl)cc2)[n]o1 Amb18656972 [0,1,0,0,0,0|2,0,1]=4 245 B15R2.98 Nc1[n]c(Nc2ccc(F)cc2)[n]o1 Amb18130064 [0,1,0,0,0,0|2,0,1]=4 246 B15R2.98 Nc1[n]oc(Cc2ccc(Br)cc2)[n]1 Amb18695149 [0,1,0,0,0,0|2,0,1]=4 247 B15R2.98 Nc1[n]oc(Cc2ccc(Cl)cc2)[n]1 Amb18774636 [0,1,0,0,0,0|2,0,1]=4 248 B15R2.98 Nc1[n]oc(Cc2ccc(F)cc2)[n]1 Amb18816659 [0,1,0,0,0,0|2,0,1]=4 249 B15R2.98 Nc1c[n+](Cc2ccc(F)cc2)[n]o1 Amb19650261 [0,1,0,0,0,0|3,0,0]=4 250 B15R2.98 Nc1c[s]c(Cc2ccc(Br)cc2)[n]1 Amb25330643 [0,1,0,0,0,0|2,0,1]=4 251 B15R2.98 Nc1ccc(CC2CCC(=O)N2)cc1 Amb18819188 [0,1,0,0,0,0|2,0,1]=4 252 B15R2.98 Nc1ccc(CC2CCC(=O)O2)cc1 Amb24679101 [0,1,0,0,0,0|3,0,0]=4 253 B15R2.98 Nc1ccc(CC2CNC(=O)O2)cc1 Amb18559562 [0,1,0,0,0,0|3,0,0]=4 254 B15R2.98 Nc1ccc(C[C@@H]2COC(=O)N2)cc1 Amb19130394 [0,1,0,0,0,0|1,0,1]=3 255 B15R2.98 O=C1C=C(CO1)Cc2ccc(Br)cc2 Amb24695815 [0,1,0,0,0,0|2,0,1]=4 256 B15R2.98 O=C1CC(Cc2ccc(Br)cc2)CC1 Amb25692749 [0,1,0,0,0,0|3,0,0]=4 257 B15R2.98 O=C1CC(Cc2ccc(Cl)cc2)CC1 Amb24447923 [0,1,0,0,0,0|3,0,0]=4 258 B15R2.98 O=C1CC(Cc2ccc(Cl)cc2)CN1 Amb24598310 [0,1,0,0,0,0|3,0,0]=4 259 B15R2.98 O=C1CC(Cc2ccc(F)cc2)CC1 Amb25818479 [0,1,0,0,0,0|3,0,0]=4 260 B15R2.98 O=C1CCC(Cc2ccc(Cl)cc2)N1 Amb25246668 [0,1,0,0,0,0|2,0,1]=4 261 B15R2.98 O=C1CCC(Cc2ccc(F)cc2)N1 Amb25165817 [0,1,0,0,0,0|2,0,1]=4 262 B15R2.98 O=C1CCC(Cc2ccc(I)cc2)N1 Amb24648527 [0,1,0,0,0,0|2,0,1]=4 263 B15R2.98 O=C1CC[C@@H](Cc2ccc(Cl)cc2)N1 Amb25840376 [0,1,0,0,0,0|2,0,1]=4 264 B15R2.98 Oc1[n]c(Cc2ccc(F)cc2)[n]o1 Amb19417119 [0,1,0,0,0,0|2,0,1]=4 265 B15R2.98 Oc1ccc(CC2CCC(=O)O2)cc1 Amb20668221 [0,1,0,0,0,0|3,0,0]=4 266 B15R2.297 CC(C1CN=C(N)N1)c2ccccc2 Amb24561590 [0,1,0,0,0,0|1,0,1]=3 267 B15R2.297 CC(C1CN=C(N)O1)c2ccccc2 Amb25069782 [0,1,0,0,0,0|2,0,0]=3 268 B15R2.297 CC(C1CNC(=O)C1)c2ccccc2 Amb25067874 [0,1,0,0,0,0|3,0,0]=4 269 B15R2.297 CC(C1CNC(=O)O1)c2ccccc2 Amb25037772 [0,1,0,0,0,0|3,0,0]=4 270 B15R2.297 CC(C1CNC(=S)N1)c2ccccc2 Amb24391381 [0,1,0,0,0,0|2,0,1]=4 271 B15R2.297 CC(C1COC(C)O1)c2ccccc2 Amb24065758 [0,1,0,0,0,0|2,0,1]=4 272 B15R2.297 CC(c1ccccc1)[n]2c[n]c(N)[n]2 Amb25224994 [0,1,0,0,0,0|2,0,1]=4 273 B15R2.297 CC(c1ccccc1)[n]2ccc(N)[n]2 Amb20669072 [0,1,0,0,0,0|2,0,1]=4 274 B15R2.297 CC1CC(CO1)C(Br)c2ccccc2 Amb24462134 [0,1,0,0,0,0|2,0,1]=4 275 B15R2.297 CC1CC(CO1)C(Cl)c2ccccc2 Amb25069969 [0,1,0,0,0,0|2,0,1]=4 276 B15R2.297 CC1CC(CO1)C(N)c2ccccc2 Amb25167280 [0,1,0,0,0,0|2,0,1]=4 277 B15R2.297 CN(c1[n]oc(N)[n]1)c2ccccc2 Amb18650465 [0,1,0,0,0,0|2,0,1]=4 278 B15R2.297 Cc1[n]c(co1)C(N)c2ccccc2 Amb18820983 [0,1,0,0,0,0|1,0,2]=4 279 B15R2.297 NC(C1CCC(=O)O1)c2ccccc2 Amb25036871 [0,1,0,0,0,0|3,0,0]=4 280 B15R2.297 NC(C1COC(=O)N1)c2ccccc2 Amb24347364 [0,1,0,0,0,0|1,0,1]=3 281 B15R2.297 Nc1[n]c([n]o1)C(=O)c2ccccc2 Amb18650087 [0,1,0,0,0,0|1,0,2]=4 282 B15R2.297 Nc1[n]c([n]o1)C(O)c2ccccc2 Amb18650746 [0,1,0,0,0,0|1,0,1]=3 283 B15R2.297 Nc1[n]oc([n]1)C(N)c2ccccc2 Amb18819420 [0,1,0,0,0,0|2,0,1]=4 284 B15R2.297 Nc1[n]oc([n]1)[C@@H](N)c2ccccc2 Amb25123645 [0,1,0,0,0,0|2,0,1]=4 285 B15R2.297 O=C(N1CCC(=N1)N)c2ccccc2 Amb2229172 [0,1,0,0,0,0|2,0,1]=4 286 B15R2.297 O=C1CCC(N1)C(Cl)c2ccccc2 Amb24639054 [0,1,0,0,0,0|2,0,1]=4 287 B15R2.297 O=C1CC[C@H](N1)[C@@H](Cl)c2ccccc2 Amb24520021 [0,1,0,0,0,0|2,0,1]=4 288 B15R2.297 O=C1O[C@@H](CO1)[C@@H](Cl)c2ccccc2 Amb25317255 [0,1,0,0,0,0|2,0,0]=3 289 B15R2.297 O=C1O[C@@H](CO1)[C@H](Cl)c2ccccc2 Amb24672562 [0,1,0,0,0,0|2,0,0]=3 290 B15R2.297 OC(C1CCC(=O)N1)c2ccccc2 Amb25733120 [0,1,0,0,0,0|2,0,1]=4 291 B15R2.297 OC(C1COC(=O)C1)c2ccccc2 Amb25803001 [0,1,0,0,0,0|2,0,0]=3 292 B15R2.297 OC(C1COC(=O)N1)c2ccccc2 Amb24418449 [0,1,0,0,0,0|1,0,1]=3 293 B15R2.297 OC(C1COC(=O)O1)c2ccccc2 Amb24718649 [0,1,0,0,0,0|2,0,0]=3 294 B15R2.297 OC(c1n[nH]c(n1)N)c2ccccc2 Amb10976531 [0,1,0,0,0,0|2,0,1]=4 295 B15R2.297 O[C@@H](C1CNC(=O)C1)c2ccccc2 Amb25747480 [0,1,0,0,0,0|3,0,0]=4 296 B15R2.297 O[C@@H]([C@@H]1CCC(=O)O1)c2ccccc2 Amb24613504 [0,1,0,0,0,0|3,0,0]=4 297 B15R2.297 O[C@@H]([C@H]1CCC(=O)O1)c2ccccc2 Amb24745880 [0,1,0,0,0,0|3,0,0]=4 298 B15R2.297 O[C@H]([C@@H]1COC(=O)N1)c2ccccc2 Amb24513124 [0,1,0,0,0,0|1,0,1]=3 299 B15R2.297 O[C@H]([C@H]1COC(=O)C1)c2ccccc2 Amb24719808 [0,1,0,0,0,0|2,0,0]=3 300 B15R2.297 O[C@H]([C@H]1COC(=O)O1)c2ccccc2 Amb25215369 [0,1,0,0,0,0|2,0,0]=3 301 B15R2.305 Cc1[n]c(Cc2ccccc2Br)[n]o1 Amb18228244 [0,1,0,0,0,0|2,0,1]=4 302 B15R2.305 Cc1[n]c(Cc2ccccc2N)[n]o1 Amb18863409 [0,1,0,0,0,0|2,0,1]=4 303 B15R2.305 Cc1ccccc1CC2CC(=O)CC2 Amb25783494 [0,1,0,0,0,0|3,0,0]=4 304 B15R2.305 Cc1ccccc1CC2CNC(=O)O2 Amb25035880 [0,1,0,0,0,0|3,0,0]=4 305 B15R2.305 Cc1ccccc1CC2COC(N)=N2 Amb24402930 [0,1,0,0,0,0|0,0,0]=1 306 B15R2.305 Cc1ccccc1C[C@H]2COC(N)=N2 Amb25165985 [0,1,0,0,0,0|0,0,0]=1 307 B15R2.305 Cc1ccccc1Cc2[n][s]c(N)[n]2 Amb18956335 [0,1,0,0,0,0|1,1,1]=4 308 B15R2.305 Cc1ccccc1Cc2[n]c(N)[n][s]2 Amb18782434 [0,1,0,0,0,0|2,0,1]=4 309 B15R2.305 Cc1ccccc1Cc2[n]c(N)[n]o2 Amb18820278 [0,1,0,0,0,0|2,0,1]=4 310 B15R2.305 Cc1ccccc1Cc2[n]oc(Cl)[n]2 Amb25798600 [0,1,0,0,0,0|2,0,1]=4 311 B15R2.305 Cc1ccccc1Cc2[n]oc(N)[n]2 Amb18286090 [0,1,0,0,0,0|1,0,1]=3 312 B15R2.305 Cc1ccccc1Nc2[n]oc(N)[n]2 Amb18650466 [0,1,0,0,0,0|2,0,1]=4 313 B15R2.305 Cc1ccccc1OC2CNC(N)=N2 Amb24521892 [0,1,0,0,0,0|2,0,0]=3 314 B15R2.305 Clc1[n]c(Cc2ccccc2Br)[n]o1 Amb25080322 [0,1,0,0,0,0|2,0,1]=4 315 B15R2.305 Clc1ccccc1Cc2[n]oc(Cl)[n]2 Amb24525164 [0,1,0,0,0,0|2,0,1]=4 316 B15R2.305 Fc1ccccc1Cc2[n]oc(Cl)[n]2 Amb25129364 [0,1,0,0,0,0|2,0,1]=4 317 B15R2.305 NC1=NC(CS1)=Cc2ccccc2O Amb24456978 [0,1,0,0,0,0|0,1,2]=4 318 B15R2.305 NC1=N[C@@H](Cc2ccccc2F)CO1 Amb25165986 [0,1,0,0,0,0|0,0,0]=1 319 B15R2.305 NC1CC(CC1)Cc2ccccc2F Amb25743680 [0,1,0,0,0,0|2,0,1]=4 320 B15R2.305 NC=1CCN(Cc2ccccc2Br)N1 Amb25260342 [0,1,0,0,0,0|2,0,0]=3 321 B15R2.305 NC=1CCN(Cc2ccccc2F)N1 Amb25672487 [0,1,0,0,0,0|2,0,0]=3 322 B15R2.305 Nc1[nH][n]c(Cc2ccccc2Br)[n]1 Amb24576312 [0,1,0,0,0,0|2,0,1]=4 323 B15R2.305 Nc1[n][n](Cc2ccccc2Br)c[n]1 Amb25164696 [0,1,0,0,0,0|2,0,1]=4 324 B15R2.305 Nc1[n][s]c(Cc2ccccc2Cl)[n]1 Amb18759558 [0,1,0,0,0,0|2,0,1]=4 325 B15R2.305 Nc1[n][s]c(Cc2ccccc2F)[n]1 Amb18775751 [0,1,0,0,0,0|2,0,1]=4 326 B15R2.305 Nc1[n]c(Cc2ccccc2Cl)[n][s]1 Amb18956955 [0,1,0,0,0,0|1,1,1]=4 327 B15R2.305 Nc1[n]c(Cc2ccccc2Cl)[n]o1 Amb18961696 [0,1,0,0,0,0|1,0,1]=3 328 B15R2.305 Nc1[n]c(Cc2ccccc2F)[n][s]1 Amb18283177 [0,1,0,0,0,0|1,1,1]=4 329 B15R2.305 Nc1[n]c(Cc2ccccc2F)[n]o1 Amb18961697 [0,1,0,0,0,0|1,0,1]=3 330 B15R2.305 Nc1[n]c(Nc2ccccc2Cl)[n]o1 Amb18656973 [0,1,0,0,0,0|2,0,1]=4 331 B15R2.305 Nc1[n]oc(Cc2ccccc2Cl)[n]1 Amb18774637 [0,1,0,0,0,0|2,0,1]=4 332 B15R2.305 Nc1[n]oc(Cc2ccccc2F)[n]1 Amb18816660 [0,1,0,0,0,0|2,0,1]=4 333 B15R2.305 Nc1c[n+](Cc2ccccc2Cl)[n]o1 Amb19650265 [0,1,0,0,0,0|3,0,0]=4 334 B15R2.305 Nc1c[s]c(Cc2ccccc2Br)[n]1 Amb25838147 [0,1,0,0,0,0|2,0,1]=4 335 B15R2.305 Nc1c[s]c(Cc2ccccc2F)[n]1 Amb25752283 [0,1,0,0,0,0|2,0,1]=4 336 B15R2.305 Nc1ncn(n1)Cc2ccccc2Cl Amb1945713 [0,1,0,0,0,0|2,0,1]=4 337 B15R2.305 Nc1ncn(n1)Cc2ccccc2F Amb1946162 [0,1,0,0,0,0|2,0,1]=4 338 B15R2.305 Nc1onc(c1)Cc2ccccc2C Amb17234526 [0,1,0,0,0,0|2,0,1]=4 339 B15R2.305 Nc1onc(c1)Cc2ccccc2Cl Amb17240110 [0,1,0,0,0,0|2,0,1]=4 340 B15R2.305 Nc1onc(c1)Cc2ccccc2F Amb17235323 [0,1,0,0,0,0|2,0,1]=4 341 B15R2.305 O=C1CC(Cc2ccccc2Cl)CN1 Amb24641482 [0,1,0,0,0,0|3,0,0]=4 342 B15R2.305 O=C1CCC(Cc2ccccc2Cl)N1 Amb24412617 [0,1,0,0,0,0|2,0,1]=4 343 B15R2.305 O=C1CCC(Cc2ccccc2F)N1 Amb24431534 [0,1,0,0,0,0|2,0,1]=4 344 B15R2.305 O=C1NC(Cc2ccccc2Br)CO1 Amb25216305 [0,1,0,0,0,0|1,0,1]=3 345 B15R2.305 O=C1NCC(Cc2ccccc2Br)O1 Amb25742899 [0,1,0,0,0,0|3,0,0]=4 346 B15R2.305 Oc1ccccc1CC2CNC(=O)O2 Amb18651410 [0,1,0,0,0,0|3,0,0]=4 347 B15R2.305 Oc1ccccc1CC2COC(=O)N2 Amb25270775 [0,1,0,0,0,0|1,0,1]=3 348 B15R2.305 Sc1[n]c(Cc2ccccc2Cl)[n]o1 Amb25055528 [0,1,0,0,0,0|2,0,1]=4 349 B15R2.314 CC1CC(Cc2ccccc2)NC1=O Amb24071052 [0,1,0,0,0,0|2,0,1]=4 350 B15R2.314 CN1CC(Cc2ccccc2)OC1=O Amb18559294 [0,1,0,0,0,0|3,0,0]=4 351 B15R2.314 CN1C[C@H](Cc2ccccc2)NC1=O Amb24717368 [0,1,0,0,0,0|2,0,1]=4 352 B15R2.314 C[C@@H]1C[C@H](Cc2ccccc2)NC1=O Amb24555628 [0,1,0,0,0,0|2,0,1]=4 353 B15R2.314 Cc1cn(nc1N)Cc2ccccc2 Amb10249059 [0,1,0,0,0,0|2,0,1]=4 354 B15R2.314 Nc1[n][n](Cc2ccccc2)[n]c1N Amb24437244 [0,1,0,0,0,0|3,0,0]=4 355 B15R2.314 O[C@H]1C[C@@H](Cc2ccccc2)OC1=O Amb24675457 [0,1,0,0,0,0|3,0,0]=4 356 B15R2.325 CC1CC(N)=NN1Cc2ccccc2 Amb24696327 [0,1,0,0,0,0|2,0,0]=3 357 B15R2.325 CC1NC(=O)CC1Cc2ccccc2 Amb24408674 [0,1,0,0,0,0|3,0,0]=4 358 B15R2.325 CC1OC(=O)CC1Sc2ccccc2 Amb25778052 [0,1,0,0,0,0|3,0,0]=4 359 B15R2.325 CC1OC(=O)NC1Cc2ccccc2 Amb25840945 [0,1,0,0,0,0|1,0,1]=3 360 B15R2.325 CC1O[C@@H](Cc2ccccc2)C(O)O1 Amb25284525 [0,1,0,0,0,0|2,0,1]=4 361 B15R2.325 C[C@@H]1CC(=O)N[C@H]1Cc2ccccc2 Amb24512786 [0,1,0,0,0,0|2,0,1]=4 362 B15R2.325 C[C@@H]1OC(N)=N[C@H]1Cc2ccccc2 Amb25179225 [0,1,0,0,0,0|0,0,0]=1 363 B15R2.325 C[C@@H]1SC(N)=N[C@@H]1Cc2ccccc2 Amb24642577 [0,1,0,0,0,0|0,1,0]=2 364 B15R2.325 C[C@H]1CC(=O)N[C@@H]1Cc2ccccc2 Amb24674270 [0,1,0,0,0,0|2,0,1]=4 365 B15R2.325 C[C@H]1OC(N)=N[C@H]1Cc2ccccc2 Amb25179226 [0,1,0,0,0,0|0,0,0]=1 366 B15R2.325 C[C@H]1SC(N)=N[C@@H]1Cc2cc[n]cc2 Amb24642576 [0,1,0,0,0,0|1,1,0]=3 367 B15R2.325 C[C@H]1SC(N)=N[C@@H]1Cc2ccccc2 Amb24716798 [0,1,0,0,0,0|0,1,0]=2 368 B15R2.325 C[C@H]1SC(N)=N[C@H]1Cc2ccccc2 Amb24628998 [0,1,0,0,0,0|0,1,0]=2 369 B15R2.325 Cc1[n]c(N)[n][n]1Cc2ccccc2 Amb23481382 [0,1,0,0,0,0|2,0,1]=4 370 B15R2.325 NC1CC(=O)NC1Cc2ccccc2 Amb24447076 [0,1,0,0,0,0|2,0,1]=4 371 B15R2.325 NC=1NC(=O)C(Cc2ccccc2)N1 Amb24714422 [0,1,0,0,0,0|1,0,1]=3 372 B15R2.325 Nc1cc(N)[n][n]1Cc2ccccc2 Amb18952188 [0,1,0,0,0,0|2,0,1]=4 373 B15R2.325 Nc1sc(c(n1)Cc2ccccc2)C Amb10609299 [0,1,0,0,0,0|0,1,2]=4 374 B15R2.325 O=C1C[C@H](Cc2ccccc2)C(=O)O1 Amb22226487 [0,1,0,0,0,0|2,0,1]=4 375 B15R2.325 O=C1OC(=O)NC1Cc2ccccc2 Amb22496991 [0,1,0,0,0,0|1,0,2]=4 376 B15R2.325 O[C@@H]1CC(=O)N[C@@H]1Cc2ccccc2 Amb25216204 [0,1,0,0,0,0|2,0,1]=4 377 B15R2.325 O[C@@H]1CC(=O)N[C@H]1Cc2ccccc2 Amb24666708 [0,1,0,0,0,0|2,0,1]=4 378 B15R2.325 O[C@H]1CC(=O)N[C@@H]1Cc2ccccc2 Amb24513129 [0,1,0,0,0,0|2,0,1]=4 379 B15R2.325 O[C@H]1CC(=O)O[C@@H]1Cc2ccccc2 Amb24622523 [0,1,0,0,0,0|3,0,0]=4 380 B15R2.1115 Brc1cccc(c1)Cc2noc(c2)N Amb17263170 [0,1,0,0,0,0|2,0,1]=4 381 B15R2.1115 Brc1cccc(c1)Cn2cnc(n2)N Amb13951772 [0,1,0,0,0,0|2,0,1]=4 382 B15R2.1115 Cc1[n]c(Cc2cc(Br)ccc2)[n]o1 Amb18228256 [0,1,0,0,0,0|2,0,1]=4 383 B15R2.1115 Cc1[n]c(Cc2cc(N)ccc2)[n]o1 Amb18863412 [0,1,0,0,0,0|2,0,1]=4 384 B15R2.1115 Cc1cc(CC2CCC(N)C2)ccc1 Amb25337982 [0,1,0,0,0,0|2,0,1]=4 385 B15R2.1115 Cc1cc(CC2CNC(=O)C2)ccc1 Amb24467675 [0,1,0,0,0,0|3,0,0]=4 386 B15R2.1115 Cc1cc(CC2COC(N)=N2)ccc1 Amb24342877 [0,1,0,0,0,0|0,0,0]=1 387 B15R2.1115 Cc1cc(C[C@H]2COC(N)=N2)ccc1 Amb25077288 [0,1,0,0,0,0|0,0,0]=1 388 B15R2.1115 Cc1cc(Cc2[n][s]c(N)[n]2)ccc1 Amb18956338 [0,1,0,0,0,0|1,1,1]=4 389 B15R2.1115 Cc1cc(Cc2[n]c(N)[n][s]2)ccc1 Amb18782431 [0,1,0,0,0,0|2,0,1]=4 390 B15R2.1115 Cc1cc(Cc2[n]c(N)[n]o2)ccc1 Amb18820275 [0,1,0,0,0,0|2,0,1]=4 391 B15R2.1115 Cc1cc(Cc2[n]c(N)c[s]2)ccc1 Amb25115514 [0,1,0,0,0,0|2,0,1]=4 392 B15R2.1115 Cc1cc(Cc2[n]oc(Cl)[n]2)ccc1 Amb25294982 [0,1,0,0,0,0|2,0,1]=4 393 B15R2.1115 Cc1cc(Cc2[n]oc(N)[n]2)ccc1 Amb18961699 [0,1,0,0,0,0|1,0,1]=3 394 B15R2.1115 Cc1cccc(c1)Cc2noc(c2)N Amb17234527 [0,1,0,0,0,0|2,0,1]=4 395 B15R2.1115 Cc1cccc(c1)Cn2cnc(n2)N Amb1945758 [0,1,0,0,0,0|2,0,1]=4 396 B15R2.1115 Clc1[n]c(Cc2cc(Br)ccc2)[n]o1 Amb24659113 [0,1,0,0,0,0|2,0,1]=4 397 B15R2.1115 Clc1cc(Cc2[n]oc(Cl)[n]2)ccc1 Amb24731358 [0,1,0,0,0,0|2,0,1]=4 398 B15R2.1115 Clc1cccc(c1)Cc2noc(c2)N Amb17240111 [0,1,0,0,0,0|2,0,1]=4 399 B15R2.1115 Clc1cccc(c1)Cn2ccc(n2)N Amb1945960 [0,1,0,0,0,0|2,0,1]=4 400 B15R2.1115 Clc1cccc(c1)Cn2cnc(n2)N Amb1946000 [0,1,0,0,0,0|2,0,1]=4 401 B15R2.1115 Fc1cccc(c1)Cn2ccc(n2)N Amb1945794 [0,1,0,0,0,0|2,0,1]=4 402 B15R2.1115 NC1=NC(Cc2cc[n]c(O)c2)CS1 Amb24592656 [0,1,0,0,0,0|1,1,0]=3 403 B15R2.1115 NC1=N[C@@H](Cc2cccc(Cl)c2)CO1 Amb24547023 [0,1,0,0,0,0|0,0,0]=1 404 B15R2.1115 NC1=N[C@@H](Cc2cccc(F)c2)CO1 Amb25250688 [0,1,0,0,0,0|0,0,0]=1 405 B15R2.1115 NC1CC(CC1)Cc2cc(Br)ccc2 Amb25254695 [0,1,0,0,0,0|2,0,1]=4 406 B15R2.1115 NC1CC(CC1)Cc2cc(Cl)ccc2 Amb25181174 [0,1,0,0,0,0|2,0,1]=4 407 B15R2.1115 NC1CC(CC1)Cc2cc(F)ccc2 Amb25338834 [0,1,0,0,0,0|2,0,1]=4 408 B15R2.1115 NC1CC(CC1)Cc2cc(O)ccc2 Amb25202791 [0,1,0,0,0,0|2,0,1]=4 409 B15R2.1115 NC=1CCN(Cc2cccc(F)c2)N1 Amb25797791 [0,1,0,0,0,0|2,0,0]=3 410 B15R2.1115 NC=1CCN(Cc2cccc(O)c2)N1 Amb18650873 [0,1,0,0,0,0|2,0,0]=3 411 B15R2.1115 Nc1[n][s]c(Cc2cc(Br)ccc2)[n]1 Amb18690295 [0,1,0,0,0,0|2,0,1]=4 412 B15R2.1115 Nc1[n][s]c(Cc2cc(Cl)ccc2)[n]1 Amb18759557 [0,1,0,0,0,0|2,0,1]=4 413 B15R2.1115 Nc1[n][s]c(Cc2cc(F)ccc2)[n]1 Amb18775754 [0,1,0,0,0,0|2,0,1]=4 414 B15R2.1115 Nc1[n]c(Cc2cc(Cl)ccc2)[n]o1 Amb18961689 [0,1,0,0,0,0|1,0,1]=3 415 B15R2.1115 Nc1[n]c(Cc2cc(F)ccc2)[n][s]1 Amb18951854 [0,1,0,0,0,0|1,1,1]=4 416 B15R2.1115 Nc1[n]c(Cc2cc(F)ccc2)[n]o1 Amb18961695 [0,1,0,0,0,0|1,0,1]=3 417 B15R2.1115 Nc1[n]c(Nc2cc(O)ccc2)[n]o1 Amb18651040 [0,1,0,0,0,0|2,0,1]=4 418 B15R2.1115 Nc1[n]oc(Cc2cc(Br)ccc2)[n]1 Amb18695150 [0,1,0,0,0,0|2,0,1]=4 419 B15R2.1115 Nc1[n]oc(Cc2cc(Cl)ccc2)[n]1 Amb18774635 [0,1,0,0,0,0|2,0,1]=4 420 B15R2.1115 Nc1[n]oc(Cc2cc(F)ccc2)[n]1 Amb25291471 [0,1,0,0,0,0|2,0,1]=4 421 B15R2.1115 Nc1c[s]c(Cc2cc(Br)ccc2)[n]1 Amb22277096 [0,1,0,0,0,0|2,0,1]=4 422 B15R2.1115 Nc1c[s]c(Cc2cc(Cl)ccc2)[n]1 Amb25712356 [0,1,0,0,0,0|2,0,1]=4 423 B15R2.1115 Nc1c[s]c(Cc2cc(F)ccc2)[n]1 Amb24336953 [0,1,0,0,0,0|2,0,1]=4 424 B15R2.1115 Nc1cc(CC2CCC(=O)N2)ccc1 Amb18819187 [0,1,0,0,0,0|2,0,1]=4 425 B15R2.1115 Nc1cc(Cc2[n][nH]c(N)[n]2)ccc1 Amb25772020 [0,1,0,0,0,0|2,0,1]=4 426 B15R2.1115 O=C1CC(Cc2cccc(F)c2)CC1 Amb25710201 [0,1,0,0,0,0|3,0,0]=4 427 B15R2.1115 O=C1CC(Cc2cccc(F)c2)CO1 Amb24450058 [0,1,0,0,0,0|2,0,0]=3 428 B15R2.1115 O=C1CCC(Cc2cccc(F)c2)N1 Amb25058334 [0,1,0,0,0,0|2,0,1]=4 429 B15R2.1115 O=C1NCC(Cc2cccc(Cl)c2)O1 Amb25103692 [0,1,0,0,0,0|3,0,0]=4 430 B15R2.1115 O=C1NCC(Cc2cccc(F)c2)O1 Amb24506386 [0,1,0,0,0,0|3,0,0]=4 431 B15R2.1115 Oc1cc(CC2CCC(=O)O2)ccc1 Amb20668453 [0,1,0,0,0,0|3,0,0]=4 432 B15R2.1115 Oc1cc(CC2CNC(=O)C2)ccc1 Amb25843139 [0,1,0,0,0,0|3,0,0]=4 433 B15R2.1115 Oc1cc(C[C@@H]2CCC(=O)O2)ccc1 Amb24506328 [0,1,0,0,0,0|3,0,0]=4 434 B15R2.1115 Oc1cc(C[C@H]2CCC(=O)O2)ccc1 Amb25073401 [0,1,0,0,0,0|3,0,0]=4 435 B15R2.1115 Sc1[n]c(Cc2cc(Br)ccc2)[n]o1 Amb24741385 [0,1,0,0,0,0|2,0,1]=4 436 B15R2.1115 Sc1[n]c(Cc2cc(Cl)ccc2)[n]o1 Amb25764841 [0,1,0,0,0,0|2,0,1]=4 437 B15R2.4083 CC1C(CCC1=O)Cc2ccccc2 Amb24714592 [0,1,0,0,0,0|3,0,0]=4 438 B15R2.4083 CN1C(Cc2ccccc2)CN=C1N Amb25679239 [0,1,0,0,0,0|1,0,1]=3 439 B15R2.4083 CN1C(Cc2ccccc2)CNC1=O Amb18061674 [0,1,0,0,0,0|2,0,1]=4 440 B15R2.4083 CN1C(Cc2ccccc2)COC1=O Amb18559293 [0,1,0,0,0,0|1,0,1]=3 441 B15R2.4083 OC1C(COC1=O)Cc2ccccc2 Amb25266444 [0,1,0,0,0,0|2,0,0]=3 442 B15R2.4083 OC1C(COC1O)Cc2ccccc2 Amb24500695 [0,1,0,0,0,0|2,0,1]=4 443 B15R2.4083 O[C@@H]1[C@@H](CO[C@H]1O)Cc2ccccc2 Amb25256595 [0,1,0,0,0,0|2,0,1]=4 444 B15R2.4086 CC1(CO[C@H](O)C1)Cc2ccccc2 Amb25077936 [0,1,0,0,0,0|2,0,1]=4 445 B15R2.4086 CC1(Cc2ccccc2)CCC(=O)C1 Amb24420339 [0,1,0,0,0,0|3,0,0]=4 446 B15R2.4086 CC1(Cc2ccccc2)CN=C(N)O1 Amb25845463 [0,1,0,0,0,0|2,0,0]=3 447 B15R2.4086 CC=1CC(N)(Cc2ccccc2)CC1 Amb25765731 [0,1,0,0,0,0|3,0,0]=4 448 B15R2.4086 OC1(Cc2ccccc2)CCC(=O)N1 Amb24410101 [0,1,0,0,0,0|2,0,1]=4 449 B15R2.7532 CC1(C)NC(CO1)Cc2ccccc2 Amb18563401 [0,1,0,0,0,0|1,0,2]=4 450 B15R2.7532 CC1(C)N[C@@H](CO1)Cc2ccccc2 Amb25818447 [0,1,0,0,0,0|1,0,2]=4 451 B13R1.337 CC(=O)OCCCc1ccc[n]c1 Amb24094205 [0,0,1,0,0,0|3,0,0]=4 452 B13R1.337 CC(=O)OCCOc1ccccc1 Amb10560141 [0,0,1,0,0,0|3,0,0]=4 453 B13R1.337 NC(=N)NCCNc1cccc[n]1 Amb24489067 [0,0,1,0,0,0|3,0,0]=4 454 B13R1.337 NC(=N)NCCNc1ccccc1 Amb25728941 [0,0,1,0,0,0|2,0,0]=3 455 B13R1.337 NC(=N)NC\C=C\c1ccccc1 Amb24571945 [0,0,1,0,0,0|1,0,2]=4 456 B13R1.337 NC(=N)N\N=C\Cc1ccccc1 Amb25320897 [0,0,1,0,0,0|2,0,1]=4 457 B13R1.337 NC(=N)SCC#Cc1ccccc1 Amb25098515 [0,0,1,0,0,0|0,1,2]=4 458 B13R1.337 NC(=N)SCCCc1ccccc1 Amb20676023 [0,0,1,0,0,0|0,1,0]=2 459 B13R1.337 NC(=N)SCCOc1ccccc1 Amb20676015 [0,0,1,0,0,0|1,1,0]=3 460 B13R1.337 NC(=N)SCOCc1ccccc1 Amb20093135 [0,0,1,0,0,0|1,1,0]=3 461 B13R1.337 NC(=N)SC\C=C/c1ccccc1 Amb23556552 [0,0,1,0,0,0|0,1,2]=4 462 B13R1.337 NC(=O)CCNCc1ccccc1 Amb1223227 [0,0,1,0,0,0|3,0,0]=4 463 B13R1.337 NC(=O)CCOCc1ccccc1 Amb18796124 [0,0,1,0,0,0|3,0,0]=4 464 B13R1.337 NC(=O)NCCCc1ccccc1 Amb19514748 [0,0,1,0,0,0|2,0,0]=3 465 B13R1.337 NC(=S)NCCOc1ccccc1 Amb17236450 [0,0,1,0,0,0|3,0,0]=4 466 B13R1.348 CC(=O)N[C@H](C)Cc1ccccc1 Amb24496665 [0,0,1,0,0,0|1,0,2]=4 467 B13R1.348 CC(=O)OC(C)Cc1ccccc1 Amb24323251 [0,0,1,0,0,0|2,0,1]=4 468 B13R1.348 CC(Cc1cc[n]cc1)NC(N)=O Amb24380353 [0,0,1,0,0,0|1,0,2]=4 469 B13R1.348 CC(Cc1ccccc1)CC(=O)O Amb17233403 [0,0,1,0,0,0|2,0,0]=3 470 B13R1.348 CC(Cc1ccccc1)NC(N)=N Amb18178447 [0,0,1,0,0,0|1,0,1]=3 471 B13R1.348 CC(Cc1ccccn1)CC(=O)O Amb17335285 [0,0,1,0,0,0|3,0,0]=4 472 B13R1.348 CC(Cc1cccnc1)CC(=O)O Amb17335287 [0,0,1,0,0,0|3,0,0]=4 473 B13R1.348 CC(Cc1ccncc1)CC(=O)O Amb17335288 [0,0,1,0,0,0|3,0,0]=4 474 B13R1.348 CC(Nc1ccccc1)CC(=O)N Amb17233441 [0,0,1,0,0,0|2,0,1]=4 475 B13R1.348 CC(Oc1ccccc1)CC(=O)N Amb17233539 [0,0,1,0,0,0|2,0,1]=4 476 B13R1.348 CN(Cc1ccccc1)CC(=O)N Amb17142972 [0,0,1,0,0,0|2,0,1]=4 477 B13R1.348 CN(Cc1ccccc1)CC(=O)O Amb10610460 [0,0,1,0,0,0|3,0,0]=4 478 B13R1.348 CN(Cc1ccccc1)NC(N)=S Amb25700919 [0,0,1,0,0,0|1,1,1]=4 479 B13R1.348 C[C@@H](CC(N)=O)Nc1ccccc1 Amb24727147 [0,0,1,0,0,0|2,0,1]=4 480 B13R1.348 C[C@H](CC(N)=O)Nc1ccccc1 Amb25707756 [0,0,1,0,0,0|2,0,1]=4 481 B13R1.348 C[C@H](Cc1ccccc1)NC(N)=O Amb25766034 [0,0,1,0,0,0|0,0,2]=3 482 B13R1.348 C\C(=C/C(=O)O)\Cc1ccccc1 Amb17233183 [0,0,1,0,0,0|2,0,1]=4 483 B13R1.348 NC(Cc1ccccc1)CC(O)=O Amb20623358 [0,0,1,0,0,0|3,0,0]=4 484 B13R1.348 OC(=O)CC(Br)Cc1ccccc1 Amb18111137 [0,0,1,0,0,0|3,0,0]=4 485 B13R1.348 OC(=O)CC(Cl)Cc1ccccc1 Amb18111136 [0,0,1,0,0,0|3,0,0]=4 486 B13R1.348 OC(Cc1ccccc1)CC(=O)O Amb17233662 [0,0,1,0,0,0|3,0,0]=4 487 B13R1.718 CCC(=O)CCCc1ccccc1 Amb17138784 [0,0,1,0,0,0|3,0,0]=4 488 B13R1.718 CC\C(\N)=N\OCc1ccccc1 Amb24626643 [0,0,1,0,0,0|2,0,0]=3 489 B13R1.718 CNC(=N)NCCc1ccccc1 Amb18804663 [0,0,1,0,0,0|1,0,2]=4 490 B13R1.718 CNC(=O)NCCc1ccccc1 Amb2132768 [0,0,1,0,0,0|2,0,1]=4 491 B13R1.718 COC(=N)CNCc1ccccc1 Amb25074070 [0,0,1,0,0,0|2,0,1]=4 492 B13R1.718 COC(=N)COCc1ccccc1 Amb24607698 [0,0,1,0,0,0|2,0,1]=4 493 B13R1.718 COC(=O)C#CCc1ccccc1 Amb24623934 [0,0,1,0,0,0|2,0,1]=4 494 B13R1.718 COC(=O)CCCc1cc[n]cc1 Amb19888651 [0,0,1,0,0,0|3,0,0]=4 495 B13R1.718 COC(=O)CCCc1ccc[n]c1 Amb24066737 [0,0,1,0,0,0|3,0,0]=4 496 B13R1.718 COC(=O)CCNc1ccccc1 Amb1930724 [0,0,1,0,0,0|3,0,0]=4 497 B13R1.718 COC(=O)CC[NH2+]c1ccccc1 Amb10553942 [0,0,1,0,0,0|3,0,0]=4 498 B13R1.718 COC(=O)CNCc1ccccc1 Amb21929289 [0,0,1,0,0,0|3,0,0]=4 499 B13R1.718 COC(=O)NCCc1ccncc1 Amb1089154 [0,0,1,0,0,0|2,0,1]=4 500 B13R1.718 COC(=O)NOCc1ccccc1 Amb25359225 [0,0,1,0,0,0|2,0,1]=4 501 B13R1.718 CSC(N)=N\N=C\c1ccccc1 Amb25233191 [0,0,1,0,0,0|1,1,1]=4 502 B13R1.718 CS\C(\N)=N\N=Cc1ccccc1 Amb25109141 [0,0,1,0,0,0|1,1,1]=4 503 B13R1.718 C\C(\CC)=N/OCc1ccccc1 Amb24414826 [0,0,1,0,0,0|3,0,0]=4 504 B13R1.718 NC(NCCc1ccccc1)=NO Amb18809201 [0,0,1,0,0,0|2,0,1]=4 505 B13R1.718 N\C(\CCCc1ccccc1)=N\O Amb22551827 [0,0,1,0,0,0|3,0,0]=4 506 B13R1.718 N\C(\NCCc1ccccc1)=N\N Amb24573776 [0,0,1,0,0,0|2,0,1]=4 507 B15R3.514 O=C1CC2C(C2C1)c3ccccc3 Amb25767871 [0,0,0,1,0,0|3,0,0]=4 508 B15R3.514 O=C1C[C@@H]2[C@H]([C@@H]2C1)c3ccccc3 Amb24633553 [0,0,0,1,0,0|3,0,0]=4 509 B15R3.2007 O=C1CC2Cc3ccccc3C1C2 Amb25044276 [0,0,0,1,0,0|3,0,0]=4 510 B15R3.2009 NC1=N[C@H]2[C@H](Cc3ccccc32)O1 Amb25179393 [0,0,0,1,0,0|2,0,0]=3 511 B15R3.2009 NC=1NC2C(Cc3ccccc32)N1 Amb25243086 [0,0,0,1,0,0|1,0,0]=2 512 B15R3.2009 O=C1C[C@H]2Cc3ccccc3[C@H]2O1 Amb24087833 [0,0,0,1,0,0|2,0,0]=3 513 B15R3.2009 O=C1NC2C(Cc3ccccc32)S1 Amb24409700 [0,0,0,1,0,0|3,0,0]=4 514 B15R3.2009 O=C1NC2Cc3ccccc3C2O1 Amb24343848 [0,0,0,1,0,0|1,0,1]=3 515 B15R3.2009 O=C1N[C@@H]2Cc3ccccc3[C@@H]2O1 Amb24600055 [0,0,0,1,0,0|1,0,1]=3 516 B15R3.2009 O=C1N[C@@H]2[C@@H](Cc3ccccc32)O1 Amb22336679 [0,0,0,1,0,0|3,0,0]=4 517 B15R3.2009 O=C1O[C@@H]2[C@H](N1)c3c(C2)cccc3 Amb16227034 [0,0,0,1,0,0|3,0,0]=4 518 B15R3.2009 S=C1N[C@H]2[C@H](Cc3ccccc32)S1 Amb24733247 [0,0,0,1,0,0|3,0,0]=4 519 B15R3.2254 O=C1CC[C@@H]2[C@@H]([C@H]12)c3ccccc3 Amb24602972 [0,0,0,1,0,0|3,0,0]=4 520 B15R3.2254 O=C1CC[C@@H]2[C@H]([C@H]12)c3ccccc3 Amb24600981 [0,0,0,1,0,0|3,0,0]=4 521 B15R3.2254 O=C1CC[C@H]2[C@@H]([C@@H]12)c3ccccc3 Amb24588953 [0,0,0,1,0,0|3,0,0]=4 522 B15R3.4209 C1C2CCC1C(N2)c3ccccc3 Amb24742576 [0,0,0,1,0,0|2,0,1]=4 523 B15R3.10083 O=C1CCC2Cc3ccccc3C12 Amb24492693 [0,0,0,1,0,0|3,0,0]=4 524 B15R3.10083 O=C1CCC2Cc3ccccc3N12 Amb25705294 [0,0,0,1,0,0|2,0,1]=4 525 B15R3.10083 O=C1OC[C@@H]2Cc3ccccc3N12 Amb25710714 [0,0,0,1,0,0|1,0,1]=3 526 B13R2.10 BrC=1CCN(N1)c2ccccc2 Amb25224096 [0,0,0,0,1,0|3,0,0]=4 527 B13R2.10 Brc1[n]c([n]o1)-c2ccccc2 Amb22304287 [0,0,0,0,1,0|2,0,1]=4 528 B13R2.10 CC1=NC(CO1)c2ccccc2 Amb24754160 [0,0,0,0,1,0|1,0,0]=2 529 B13R2.10 CC1N[C@H](CO1)c2ccccc2 Amb25150915 [0,0,0,0,1,0|1,0,2]=4 530 B13R2.10 Cc1occ(n1)c2ccccc2 Amb17400054 [0,0,0,0,1,0|1,0,2]=4 531 B13R2.10 Clc1[n]c(co1)-c2ccccc2 Amb22370822 [0,0,0,0,1,0|1,0,2]=4 532 B13R2.10 Ic1[n]c(co1)-c2ccccc2 Amb25095972 [0,0,0,0,1,0|1,0,2]=4 533 B13R2.10 N=C1CC(CN1)c2ccccc2 Amb25363924 [0,0,0,0,1,0|2,0,1]=4 534 B13R2.10 N=C1N[C@H](CO1)c2ccccc2 Amb25326051 [0,0,0,0,1,0|0,0,2]=3 535 B13R2.10 NC1=NC(CO1)c2ccccc2 Amb17619912 [0,0,0,0,1,0|0,0,0]=1 536 B13R2.10 NC1=NCC(O1)c2ccccc2 Amb17608294 [0,0,0,0,1,0|2,0,0]=3 537 B13R2.10 NC1=NCC(S1)c2ccccc2 Amb25060735 [0,0,0,0,1,0|2,0,0]=3 538 B13R2.10 NC1=NNC(S1)c2ccccc2 Amb25152640 [0,0,0,0,1,0|3,0,0]=4 539 B13R2.10 NC1=NOC(C1)c2ccccc2 Amb17594037 [0,0,0,0,1,0|3,0,0]=4 540 B13R2.10 NC1CCC(C1)c2ccccc2 Amb17400101 [0,0,0,0,1,0|2,0,1]=4 541 B13R2.10 NC1N=C(CO1)c2ccccc2 Amb24493499 [0,0,0,0,1,0|0,0,2]=3 542 B13R2.10 NC1NCC(O1)c2ccccc2 Amb25135649 [0,0,0,0,1,0|2,0,1]=4 543 B13R2.10 NC=1CCC(N1)c2ccccc2 Amb24391515 [0,0,0,0,1,0|1,0,0]=2 544 B13R2.10 NC=1CCN(N1)c2cc[n]cc2 Amb24424558 [0,0,0,0,1,0|3,0,0]=4 545 B13R2.10 NC=1CCN(N1)c2cccc[n]2 Amb24366076 [0,0,0,0,1,0|3,0,0]=4 546 B13R2.10 Nc1[nH]cc([n]1)-c2ccccc2 Amb22749787 [0,0,0,0,1,0|1,0,2]=4 547 B13R2.10 Nc1[nH]nc(n1)c2ccccc2 Amb1016761 [0,0,0,0,1,0|2,0,1]=4 548 B13R2.10 Nc1[n][n+]([n]o1)-c2ccccc2 Amb25074600 [0,0,0,0,1,0|2,0,0]=3 549 B13R2.10 Nc1[n][nH]c([n]1)-c2ccccc2 Amb22578244 [0,0,0,0,1,0|2,0,1]=4 550 B13R2.10 Nc1[n][n]([n][n]1)-c2ccccc2 Amb23538745 [0,0,0,0,1,0|3,0,0]=4 551 B13R2.10 Nc1[n]c([n]o1)-c2cc[n]cc2 Amb18947447 [0,0,0,0,1,0|2,0,1]=4 552 B13R2.10 Nc1[n]c([n]o1)-c2cccc[n]2 Amb18947446 [0,0,0,0,1,0|2,0,1]=4 553 B13R2.10 Nc1[n]c(c[s]1)-c2ccccc2 Amb18090789 [0,0,0,0,1,0|0,1,2]=4 554 B13R2.10 Nc1[n]c(co1)-c2c[n]ccc2 Amb25150892 [0,0,0,0,1,0|1,0,2]=4 555 B13R2.10 Nc1[n]c(co1)-c2cc[n]cc2 Amb24484250 [0,0,0,0,1,0|1,0,2]=4 556 B13R2.10 Nc1[n]c(co1)-c2cccc[n]2 Amb24602385 [0,0,0,0,1,0|1,0,2]=4 557 B13R2.10 Nc1[n]c(co1)-c2ccccc2 Amb22757221 [0,0,0,0,1,0|0,0,2]=3 558 B13R2.10 Nc1c[n+]([n]o1)-c2ccccc2 Amb19702187 [0,0,0,0,1,0|3,0,0]=4 559 B13R2.10 Nc1ccn(n1)c2ccccc2 Amb1028245 [0,0,0,0,1,0|2,0,1]=4 560 B13R2.10 Nc1csc(n1)c2ccccc2 Amb10599942 [0,0,0,0,1,0|2,0,1]=4 561 B13R2.10 Nc1noc(n1)c2ccccc2 Amb1147537 [0,0,0,0,1,0|2,0,1]=4 562 B13R2.10 Nc1nsc(n1)c2ccccc2 Amb16202693 [0,0,0,0,1,0|2,0,1]=4 563 B13R2.10 Nc1occ(c1)c2ccccc2 Amb10600638 [0,0,0,0,1,0|1,0,2]=4 564 B13R2.10 Nc1occ(n1)c2ccccc2 Amb17400068 [0,0,0,0,1,0|0,0,2]=3 565 B13R2.10 Nc1onc(c1)c2ccccc2 Amb1156941 [0,0,0,0,1,0|2,0,1]=4 566 B13R2.10 Nc1onc(n1)c2cccnc2 Amb13952538 [0,0,0,0,1,0|2,0,1]=4 567 B13R2.10 Nc1scc(n1)c2ccccc2 Amb140017 [0,0,0,0,1,0|0,1,2]=4 568 B13R2.10 Nc1snc(n1)c2ccccc2 Amb2576540 [0,0,0,0,1,0|1,1,1]=4 569 B13R2.10 O=C1C=C(CO1)c2ccccc2 Amb24633865 [0,0,0,0,1,0|2,0,1]=4 570 B13R2.10 O=C1CCC(C1)c2ccccc2 Amb17138497 [0,0,0,0,1,0|3,0,0]=4 571 B13R2.10 O=C1CCC(N1)c2ccccc2 Amb17470413 [0,0,0,0,1,0|2,0,1]=4 572 B13R2.10 O=C1C[C@@H](CC1)c2ccccc2 Amb24323281 [0,0,0,0,1,0|3,0,0]=4 573 B13R2.10 O=C1C[C@@H](CN1)c2ccccc2 Amb23401452 [0,0,0,0,1,0|3,0,0]=4 574 B13R2.10 O=C1C[C@H](CC1)c2ccccc2 Amb24484347 [0,0,0,0,1,0|3,0,0]=4 575 B13R2.10 O=C1C[C@H](CN1)c2ccccc2 Amb25277165 [0,0,0,0,1,0|3,0,0]=4 576 B13R2.10 O=C1NC(CS1)c2ccccc2 Amb23439132 [0,0,0,0,1,0|1,1,1]=4 577 B13R2.10 O=C1NCC(C1)c2ccccc2 Amb1772919 [0,0,0,0,1,0|3,0,0]=4 578 B13R2.10 O=C1NCC(N1)c2ccccc2 Amb22056050 [0,0,0,0,1,0|2,0,1]=4 579 B13R2.10 O=C1NCC(O1)c2ccccc2 Amb16232576 [0,0,0,0,1,0|3,0,0]=4 580 B13R2.10 O=C1NC[C@@H](N1)c2ccccc2 Amb24568910 [0,0,0,0,1,0|2,0,1]=4 581 B13R2.10 O=C1NC[C@@H](O1)c2ccccc2 Amb22338660 [0,0,0,0,1,0|3,0,0]=4 582 B13R2.10 O=C1NC[C@H](N1)c2ccccc2 Amb25054081 [0,0,0,0,1,0|2,0,1]=4 583 B13R2.10 O=C1NC[C@H](O1)c2ccccc2 Amb24574681 [0,0,0,0,1,0|3,0,0]=4 584 B13R2.10 O=C1NC[C@H](S1)c2ccccc2 Amb25246623 [0,0,0,0,1,0|3,0,0]=4 585 B13R2.10 O=C1N[C@@H](CO1)c2cc[n]cc2 Amb24731875 [0,0,0,0,1,0|2,0,1]=4 586 B13R2.10 O=C1N[C@@H](CS1)c2ccccc2 Amb24653499 [0,0,0,0,1,0|1,1,1]=4 587 B13R2.10 O=C1N[C@H](CO1)c2ccc[n]c2 Amb25159332 [0,0,0,0,1,0|2,0,1]=4 588 B13R2.10 OC1=NN(CC1)c2ccccc2 Amb1811510 [0,0,0,0,1,0|3,0,0]=4 589 B13R2.10 OC1CC(CO1)c2ccccc2 Amb22752509 [0,0,0,0,1,0|2,0,1]=4 590 B13R2.10 OC1C[C@H](CO1)c2ccccc2 Amb25712077 [0,0,0,0,1,0|2,0,1]=4 591 B13R2.10 OC=1CC(CN1)c2ccccc2 Amb19866679 [0,0,0,0,1,0|3,0,0]=4 592 B13R2.10 Oc1[n]c([n]o1)-c2ccccc2 Amb19651317 [0,0,0,0,1,0|2,0,1]=4 593 B13R2.10 Oc1[n]c(co1)-c2ccccc2 Amb22370821 [0,0,0,0,1,0|1,0,2]=4 594 B13R2.10 S=C1NC(CS1)c2ccccc2 Amb24101079 [0,0,0,0,1,0|1,1,1]=4 595 B13R2.10 S=C1NCC(S1)c2ccccc2 Amb10810186 [0,0,0,0,1,0|3,0,0]=4 596 B13R2.10 S=C1NC[C@@H](O1)c2ccccc2 Amb24728461 [0,0,0,0,1,0|3,0,0]=4 597 B13R2.10 S=C1NC[C@H](S1)c2ccccc2 Amb25150880 [0,0,0,0,1,0|3,0,0]=4 598 B13R2.10 Sc1[n]c([n]o1)-c2ccccc2 Amb18790934 [0,0,0,0,1,0|2,0,1]=4 599 B13R2.10 Sc1[n]c(co1)-c2ccccc2 Amb19943960 [0,0,0,0,1,0|1,0,2]=4 600 B13R2.10 [O-]c1on[n+](n1)c2ccccc2 Amb1000957 [0,0,0,0,1,0|3,0,0]=4 601 B13R2.27 CC1NCC1Cc2ccccc2 Amb25149817 [0,0,0,0,1,0|2,0,1]=4 602 B13R2.27 NC1CCC1Cc2cc[n]cc2 Amb24567585 [0,0,0,0,1,0|2,0,1]=4 603 B13R2.27 NC1CCC1Cc2cccc[n]2 Amb25843454 [0,0,0,0,1,0|2,0,1]=4 604 B13R2.27 O=C1CCN1Cc2ccccc2 Amb25117461 [0,0,0,0,1,0|3,0,0]=4 605 B13R2.27 O=C1CC[C@@H]1Cc2ccccc2 Amb25792997 [0,0,0,0,1,0|2,0,0]=3 606 B13R2.27 O=C1NCC1Sc2ccccc2 Amb25084609 [0,0,0,0,1,0|3,0,0]=4 607 B13R2.27 O=C1NC[C@@H]1Cc2ccccc2 Amb24711591 [0,0,0,0,1,0|2,0,0]=3 608 B13R2.27 O=C1NC[C@H]1Sc2ccccc2 Amb24497005 [0,0,0,0,1,0|3,0,0]=4 609 B13R2.27 S=C1CCN1Cc2ccccc2 Amb25837349 [0,0,0,0,1,0|3,0,0]=4 610 B13R2.31 NC1CC(C1)Nc2ccccc2 Amb25273713 [0,0,0,0,1,0|2,0,1]=4 611 B13R2.31 NC1CC(C1)Oc2ccccc2 Amb25148808 [0,0,0,0,1,0|2,0,1]=4 612 B13R2.31 NC1CC(Cc2ccccc2)C1 Amb23401475 [0,0,0,0,1,0|1,0,1]=3 613 B13R2.31 NC1CN(C1)Cc2ccccc2 Amb20240966 [0,0,0,0,1,0|2,0,1]=4 614 B13R2.31 NC1CN(C1)Cc2ccccc2 Amb21963554 [0,0,0,0,1,0|2,0,1]=4 615 B13R2.31 NC1CN(C1)Cc2ccccc2 Amb22491426 [0,0,0,0,1,0|2,0,1]=4 616 B13R2.31 N[C@@H]1C[C@@H](C1)Oc2ccccc2 Amb25350924 [0,0,0,0,1,0|2,0,1]=4 617 B13R2.31 N[C@@H]1C[C@H](C1)Oc2ccccc2 Amb24439570 [0,0,0,0,1,0|2,0,1]=4 618 B13R2.31 O=C1CC(C1)Oc2ccccc2 Amb23439309 [0,0,0,0,1,0|3,0,0]=4 619 B13R2.31 O=C1CC(Cc2ccccc2)C1 Amb23401474 [0,0,0,0,1,0|2,0,0]=3 620 B13R2.31 O=C1CN(C1)Cc2ccccc2 Amb10602421 [0,0,0,0,1,0|3,0,0]=4 621 B13R2.31 O=C1C[C@@H](N1)Sc2ccccc2 Amb25119229 [0,0,0,0,1,0|2,0,1]=4 622 B13R2.31 O=C1C[C@H](Cc2cccc[n]2)N1 Amb24497165 [0,0,0,0,1,0|2,0,1]=4 623 B13R2.31 O=C1C[C@H](Cc2ccccc2)N1 Amb24757761 [0,0,0,0,1,0|1,0,1]=3 624 B13R2.31 OC1CC(Cc2ccccc2)C1 Amb23401472 [0,0,0,0,1,0|2,0,1]=4 625 B13R2.142 NC1=NC(CS1)C[n]2c[n]cc2 Amb25702459 [0,0,0,0,1,0|2,1,0]=4 626 B13R2.142 NC1=NC(Cc2c[n]c[s]2)CS1 Amb25742907 [0,0,0,0,1,0|2,1,0]=4 627 B13R2.142 NC1=N[C@H](CS1)C[n]2c[n]cc2 Amb25325973 [0,0,0,0,1,0|2,1,0]=4 628 B13R2.142 Nc1[n]c(Cc2ccc[s]2)[n]o1 Amb18962167 [0,0,0,0,1,0|2,0,1]=4 629 B13R2.142 O=C1CC(Cc2ccc[s]2)CO1 Amb24663277 [0,0,0,0,1,0|3,0,0]=4 630 B13R2.142 O=C1CC(Cc2ccco2)CO1 Amb24362744 [0,0,0,0,1,0|3,0,0]=4 631 B13R2.142 O=C1C[C@H](Cc2ccco2)CO1 Amb25722899 [0,0,0,0,1,0|3,0,0]=4 632 B15R2.29 CC1CNC(CO1)Cc2ccccc2 Amb18563409 [0,0,0,0,0,1|1,0,2]=4 633 B15R2.29 NC1=CN=C(Cc2ccccc2)NN1 Amb24662554 [0,0,0,0,0,1|2,0,1]=4 634 B15R2.29 NC1CCC(Cc2ccccc2)CC1 Amb24601775 [0,0,0,0,0,1|2,0,1]=4 635 B15R2.29 NC=1NN=C(Cc2ccccc2)NN1 Amb20414086 [0,0,0,0,0,1|2,0,1]=4 636 B15R2.29 N[C@@H]1CC[C@@H](Cc2ccccc2)CC1 Amb25756391 [0,0,0,0,0,1|2,0,1]=4 637 B15R2.29 Nc1c[n]c(Cc2ccccc2)cc1 Amb18191583 [0,0,0,0,0,1|1,0,2]=4 638 B15R2.29 Nc1ccc(Cc2ccccc2)[n][n]1 Amb18822485 [0,0,0,0,0,1|1,0,2]=4 639 B15R2.29 Nc1ccc(Cc2ccccc2)c[n]1 Amb18648928 [0,0,0,0,0,1|1,0,2]=4 640 B15R2.29 O=C1CCC(CC1)Cc2ccccc2 Amb13777318 [0,0,0,0,0,1|3,0,0]=4 641 B15R2.29 O=C1CCC(Cc2ccccc2)C=C1 Amb25793582 [0,0,0,0,0,1|3,0,0]=4 642 B15R2.29 O=C1CNC(Cc2ccccc2)CN1 Amb18819212 [0,0,0,0,0,1|2,0,1]=4 643 B15R2.29 O=C1CN[C@H](Cc2ccccc2)CN1 Amb24763664 [0,0,0,0,0,1|2,0,1]=4 644 B15R2.29 OC1CCC(CO1)Cc2ccccc2 Amb25356218 [0,0,0,0,0,1|2,0,1]=4 645 B15R2.31 C=C1CC(Cc2ccccc2)NCC1 Amb18649678 [0,0,0,0,0,1|3,0,0]=4 646 B15R2.31 CC1COCC(Cc2ccccc2)N1 Amb18564882 [0,0,0,0,0,1|1,0,2]=4 647 B15R2.31 NC1=N[C@@H](Cc2ccccc2)CCS1 Amb25368409 [0,0,0,0,0,1|0,1,0]=2 648 B15R2.31 NC1=N[C@H](Cc2ccccc2)CCS1 Amb24453760 [0,0,0,0,0,1|0,1,0]=2 649 B15R2.31 NC1CC(Cc2ccccc2)NCC1 Amb25209462 [0,0,0,0,0,1|2,0,1]=4 650 B15R2.31 N[C@@H]1C[C@@H](Cc2ccccc2)NCC1 Amb24663136 [0,0,0,0,0,1|2,0,1]=4 651 B15R2.31 Nc1[n]c(Cc2ccccc2)cc[n]1 Amb25118793 [0,0,0,0,0,1|1,0,2]=4 652 B15R2.31 Nc1c[n]cc(Cc2ccccc2)[n]1 Amb25193481 [0,0,0,0,0,1|1,0,2]=4 653 B15R2.31 Nc1cc[n]c(Cc2ccccc2)[n]1 Amb18959417 [0,0,0,0,0,1|1,0,2]=4 654 B15R2.31 O=C1C=CC[C@H](Cc2ccccc2)O1 Amb24499879 [0,0,0,0,0,1|3,0,0]=4 655 B15R2.31 O=C1CC(Cc2ccccc2)CCC1 Amb21959248 [0,0,0,0,0,1|3,0,0]=4 656 B15R2.31 O=C1CC(Cc2ccccc2)CCN1 Amb25835625 [0,0,0,0,0,1|3,0,0]=4 657 B15R2.31 O=C1CC(Cc2ccccc2)NCC1 Amb22235280 [0,0,0,0,0,1|3,0,0]=4 658 B15R2.31 O=C1CCSC(Cc2ccccc2)N1 Amb24375776 [0,0,0,0,0,1|2,0,1]=4 659 B15R2.31 O=C1CN(Cc2ccccc2)CCO1 Amb22490281 [0,0,0,0,0,1|3,0,0]=4 660 B15R2.31 O=C1CNC[C@H](Cc2ccccc2)N1 Amb25791537 [0,0,0,0,0,1|2,0,1]=4 661 B15R2.31 O=C1COCC(Cc2ccccc2)N1 Amb21864802 [0,0,0,0,0,1|1,0,1]=3 662 B15R2.31 O=C1COC[C@@H](Cc2ccccc2)N1 Amb25082881 [0,0,0,0,0,1|1,0,1]=3 663 B15R2.31 O=C1COC[C@H](Cc2ccccc2)N1 Amb25725966 [0,0,0,0,0,1|1,0,1]=3 664 B15R2.31 O=C1CSCC(Cc2ccccc2)N1 Amb25090892 [0,0,0,0,0,1|1,1,1]=4 665 B15R2.31 O=C1CSC[C@@H](Cc2ccccc2)N1 Amb25267532 [0,0,0,0,0,1|1,1,1]=4 666 B15R2.31 O=C1C[C@@H](Cc2ccccc2)NCC1 Amb25244167 [0,0,0,0,0,1|3,0,0]=4 667 B15R2.31 O=C1C[C@H](Cc2ccccc2)NCC1 Amb24554093 [0,0,0,0,0,1|3,0,0]=4 668 B15R2.31 O=C1NC(Cc2ccccc2)CCN1 Amb25081057 [0,0,0,0,0,1|2,0,1]=4 669 B15R2.31 S=C1CC(Cc2ccccc2)CCN1 Amb25165996 [0,0,0,0,0,1|3,0,0]=4 670 B15R2.283 CC1CC(CNc2ccccc2)CO1 Amb25166836 [0,0,0,0,0,1|2,0,1]=4 671 B15R2.283 Cc1[n]c(CNc2ccccc2)[n]o1 Amb25307676 [0,0,0,0,0,1|2,0,1]=4 672 B15R2.283 Cc1[n]c(COc2ccccc2)[n]o1 Amb25708048 [0,0,0,0,0,1|2,0,1]=4 673 B15R2.283 Clc1[n]c(COc2ccccc2)[n]o1 Amb24681945 [0,0,0,0,0,1|2,0,1]=4 674 B15R2.283 Clc1[n]c(CSc2ccccc2)[n]o1 Amb25098909 [0,0,0,0,0,1|2,0,1]=4 675 B15R2.283 NC1=NC(CCc2c[n]ccc2)CS1 Amb24393487 [0,0,0,0,0,1|1,1,0]=3 676 B15R2.283 NC1=NC(CCc2ccccc2)CO1 Amb25376590 [0,0,0,0,0,1|0,0,0]=1 677 B15R2.283 NC1=NC(CNc2ccccc2)CO1 Amb25804113 [0,0,0,0,0,1|0,0,0]=1 678 B15R2.283 NC1=NCC(COc2ccccc2)O1 Amb24652587 [0,0,0,0,0,1|2,0,0]=3 679 B15R2.283 NC1=NCC(CSc2ccccc2)S1 Amb24348684 [0,0,0,0,0,1|2,0,0]=3 680 B15R2.283 NC1=NCC(O1)CSc2ccccc2 Amb17595588 [0,0,0,0,0,1|2,0,0]=3 681 B15R2.283 NC1=N[C@@H](CNc2ccccc2)CO1 Amb25814903 [0,0,0,0,0,1|0,0,0]=1 682 B15R2.283 NC1=N[C@H](CCc2cc[n]cc2)CS1 Amb25709723 [0,0,0,0,0,1|1,1,0]=3 683 B15R2.283 NC1CC(CC1)CCc2ccccc2 Amb25756853 [0,0,0,0,0,1|2,0,1]=4 684 B15R2.283 NC1CC(CC1)CNc2ccccc2 Amb24425639 [0,0,0,0,0,1|2,0,1]=4 685 B15R2.283 NC1CC(CC1)SCc2ccccc2 Amb25092218 [0,0,0,0,0,1|2,0,1]=4 686 B15R2.283 NN1CC(CC1)OCc2ccccc2 Amb24522590 [0,0,0,0,0,1|3,0,0]=4 687 B15R2.283 N[C@H]1C[C@@H](CC1)OCc2ccccc2 Amb24553827 [0,0,0,0,0,1|2,0,1]=4 688 B15R2.283 Nc1[nH]nc(n1)CCc2ccccc2 Amb10607718 [0,0,0,0,0,1|2,0,1]=4 689 B15R2.283 Nc1[n][n](CCc2ccccc2)[n][n]1 Amb25664160 [0,0,0,0,0,1|3,0,0]=4 690 B15R2.283 Nc1[n][n](CCc2ccccc2)c[n]1 Amb19747703 [0,0,0,0,0,1|2,0,1]=4 691 B15R2.283 Nc1[n][n](c[n]1)OCc2ccccc2 Amb24651882 [0,0,0,0,0,1|2,0,1]=4 692 B15R2.283 Nc1[n][s]c(CCc2ccccc2)[n]1 Amb25103913 [0,0,0,0,0,1|2,0,1]=4 693 B15R2.283 Nc1[n][s]c(CSc2ccccc2)[n]1 Amb25764205 [0,0,0,0,0,1|2,0,1]=4 694 B15R2.283 Nc1[n]c(CCc2ccccc2)[n][s]1 Amb18292122 [0,0,0,0,0,1|1,1,1]=4 695 B15R2.283 Nc1[n]c(CCc2ccccc2)[n]o1 Amb18991331 [0,0,0,0,0,1|1,0,1]=3 696 B15R2.283 Nc1[n]c(CCc2ccccc2)c[s]1 Amb22477663 [0,0,0,0,0,1|0,1,2]=4 697 B15R2.283 Nc1[n]c(CNc2ccccc2)c[s]1 Amb18865210 [0,0,0,0,0,1|0,1,2]=4 698 B15R2.283 Nc1[n]c(COc2ccccc2)[n][s]1 Amb18300287 [0,0,0,0,0,1|1,1,1]=4 699 B15R2.283 Nc1[n]c(COc2ccccc2)[n]o1 Amb18995138 [0,0,0,0,0,1|1,0,1]=3 700 B15R2.283 Nc1[n]c(CSc2ccccc2)[n][s]1 Amb22395188 [0,0,0,0,0,1|1,1,1]=4 701 B15R2.283 Nc1[n]c(NCc2ccccc2)[s][n]1 Amb24450442 [0,0,0,0,0,1|2,0,1]=4 702 B15R2.283 Nc1[n]c(\C=C\c2ccccc2)[n]o1 Amb18649547 [0,0,0,0,0,1|1,0,2]=4 703 B15R2.283 Nc1[n]oc(CCc2ccccc2)[n]1 Amb24083478 [0,0,0,0,0,1|2,0,1]=4 704 B15R2.283 Nc1c[n+](CCc2ccccc2)[n]o1 Amb19650266 [0,0,0,0,0,1|3,0,0]=4 705 B15R2.283 Nc1c[s]c(COc2ccccc2)[n]1 Amb24714434 [0,0,0,0,0,1|2,0,1]=4 706 B15R2.283 Nc1c[s]c(CSc2ccccc2)[n]1 Amb25296816 [0,0,0,0,0,1|2,0,1]=4 707 B15R2.283 Nc1n[nH]c(CCc2ccccc2)n1 Amb17915081 [0,0,0,0,0,1|2,0,1]=4 708 B15R2.283 Nc1n[nH]c(n1)CCc2ccccc2 Amb15740860 [0,0,0,0,0,1|2,0,1]=4 709 B15R2.283 Nc1nc(CCc2ccccc2)cs1 Amb17943401 [0,0,0,0,0,1|0,1,2]=4 710 B15R2.283 Nc1onc(c1)COc2ccccc2 Amb17234868 [0,0,0,0,0,1|2,0,1]=4 711 B15R2.283 Nc1scc(n1)CCc2ccccc2 Amb17238165 [0,0,0,0,0,1|0,1,2]=4 712 B15R2.283 Nc1scc(n1)COc2ccccc2 Amb1106879 [0,0,0,0,0,1|0,1,2]=4 713 B15R2.283 O=C1C=C(CO1)NCc2ccccc2 Amb23562822 [0,0,0,0,0,1|2,0,1]=4 714 B15R2.283 O=C1C=C(CO1)OCc2ccccc2 Amb24310537 [0,0,0,0,0,1|2,0,1]=4 715 B15R2.283 O=C1CC(CC1)NCc2ccccc2 Amb25754322 [0,0,0,0,0,1|3,0,0]=4 716 B15R2.283 O=C1CC(CN1)COc2ccccc2 Amb25665268 [0,0,0,0,0,1|3,0,0]=4 717 B15R2.283 O=C1CC(CN1)CSc2ccccc2 Amb25771687 [0,0,0,0,0,1|3,0,0]=4 718 B15R2.283 O=C1CC(CN1)OCc2ccccc2 Amb25166196 [0,0,0,0,0,1|3,0,0]=4 719 B15R2.283 O=C1CC(CO1)NCc2ccccc2 Amb24563385 [0,0,0,0,0,1|2,0,0]=3 720 B15R2.283 O=C1CCC(CNc2ccccc2)N1 Amb25102596 [0,0,0,0,0,1|2,0,1]=4 721 B15R2.283 O=C1CCC(CSc2ccccc2)O1 Amb25277398 [0,0,0,0,0,1|3,0,0]=4 722 B15R2.283 O=C1CCC(N1)OCc2ccccc2 Amb25835161 [0,0,0,0,0,1|2,0,1]=4 723 B15R2.283 O=C1CCC(NCc2ccccc2)=N1 Amb24740795 [0,0,0,0,0,1|2,0,1]=4 724 B15R2.283 O=C1CCC(NCc2ccccc2)N1 Amb24426288 [0,0,0,0,0,1|2,0,1]=4 725 B15R2.283 O=C1CC[C@@H](CNc2ccccc2)N1 Amb25292105 [0,0,0,0,0,1|2,0,1]=4 726 B15R2.283 O=C1C[C@H](CO1)NCc2ccccc2 Amb25233437 [0,0,0,0,0,1|2,0,0]=3 727 B15R2.283 O=C1NC(CCc2ccccc2)CO1 Amb25217512 [0,0,0,0,0,1|1,0,1]=3 728 B15R2.283 O=C1NC(CO1)CNc2cccc[n]2 Amb24690185 [0,0,0,0,0,1|2,0,1]=4 729 B15R2.283 O=C1NC(CO1)OCc2ccccc2 Amb25108221 [0,0,0,0,0,1|1,0,1]=3 730 B15R2.283 O=C1NC(CO1)\C=C\c2ccccc2 Amb24336522 [0,0,0,0,0,1|1,0,2]=4 731 B15R2.283 O=C1NC(CO1)\N=C\c2ccccc2 Amb24336701 [0,0,0,0,0,1|1,0,2]=4 732 B15R2.283 O=C1NCC(CNc2ccccc2)O1 Amb25082861 [0,0,0,0,0,1|3,0,0]=4 733 B15R2.283 O=C1NCC(CSc2ccccc2)O1 Amb25756159 [0,0,0,0,0,1|3,0,0]=4 734 B15R2.283 O=C1NC[C@@H](COc2ccccc2)O1 Amb25315100 [0,0,0,0,0,1|3,0,0]=4 735 B15R2.283 O=C1N[C@@H](CCc2ccccc2)CO1 Amb24336441 [0,0,0,0,0,1|1,0,1]=3 736 B15R2.283 O=C1N[C@@H](CO1)C#Cc2ccccc2 Amb24409685 [0,0,0,0,0,1|1,0,2]=4 737 B15R2.283 O=C1N[C@@H](CO1)\C=C\c2ccccc2 Amb24506561 [0,0,0,0,0,1|1,0,2]=4 738 B15R2.283 O=C1N[C@H](CO1)\C=C\c2ccccc2 Amb24753714 [0,0,0,0,0,1|1,0,2]=4 739 B15R2.283 O=C1OC(CO1)COc2ccccc2 Amb22446931 [0,0,0,0,0,1|2,0,0]=3 740 B15R2.283 OC1CC(CO1)OCc2ccccc2 Amb25740552 [0,0,0,0,0,1|2,0,1]=4 741 B15R2.283 OC1C[C@H](CO1)OCc2ccccc2 Amb25284216 [0,0,0,0,0,1|2,0,1]=4 742 B15R2.283 S=C1OC(CS1)COc2ccccc2 Amb22450310 [0,0,0,0,0,1|2,1,0]=4 743 B15R2.283 S=C1SC(CS1)COc2ccccc2 Amb22486691 [0,0,0,0,0,1|2,1,0]=4 744 B12R1.8 C=CCCCCc1ccccc1 Amb19930233 [1,0,1,0,0,0|2,0,0]=4 745 B12R1.8 CCOCCCc1ccccc1 Amb24063530 [1,0,1,0,0,0|1,0,1]=4 746 B12R1.8 CC\C=N\OCc1ccccc1 Amb24395281 [1,0,1,0,0,0|2,0,0]=4 747 B12R1.8 NCCCCCc1ccccc1 Amb18034503 [1,0,1,0,0,0|1,0,1]=4 748 B12R1.8 O=CCCCCc1ccccc1 Amb18798121 [1,0,1,0,0,0|2,0,0]=4 749 B12R1.8 O=COCCCc1ccccc1 Amb22229401 [1,0,1,0,0,0|1,0,0]=3 750 B12R1.32 C=CCC(N)Cc1ccccc1 Amb19015820 [1,0,1,0,0,0|1,0,1]=4 751 B12R1.32 CC(Cc1ccccc1)N=C=O Amb17103991 [1,0,1,0,0,0|0,0,2]=4 752 B12R1.32 CC(Cc1ccccc1)N=C=S Amb18790890 [1,0,1,0,0,0|0,1,1]=4 753 B12R1.32 CC(Cc1ccccc1)N=[N+]=[N-] Amb25249262 [1,0,1,0,0,0|1,0,1]=4 754 B12R1.32 CC(Cc1ccccc1)NC=S Amb24635878 [1,0,1,0,0,0|0,1,1]=4 755 B12R1.32 COCC(N)Cc1ccccc1 Amb20623561 [1,0,1,0,0,0|0,0,2]=4 756 B12R1.32 C[C@@H](Cc1ccccc1)N=[N+]=[N-] Amb24356215 [1,0,1,0,0,0|1,0,1]=4 757 B12R1.32 C[C@@H](Cc1ccccc1)NC=O Amb24637855 [1,0,1,0,0,0|0,0,2]=4 758 B12R1.32 C[C@H](Cc1ccccc1)N=[N+]=[N-] Amb25667629 [1,0,1,0,0,0|1,0,1]=4 759 B12R1.32 C\C=C\[C@@H](O)Cc1ccccc1 Amb25741490 [1,0,1,0,0,0|2,0,0]=4 760 B12R1.32 C\C=C\[C@H](O)Cc1ccccc1 Amb24353018 [1,0,1,0,0,0|2,0,0]=4 761 B12R1.32 NCCC(Cc1ccccc1)C Amb17232439 [1,0,1,0,0,0|1,0,1]=4 762 B12R1.32 NCCC(Cc1ccccc1)O Amb17232552 [1,0,1,0,0,0|1,0,1]=4 763 B12R1.32 OCCC(Cc1ccccc1)C Amb17232486 [1,0,1,0,0,0|1,0,1]=4 764 B12R1.118 C#CC(CO)Cc1ccccc1 Amb25105982 [1,0,1,0,0,0|1,0,1]=4 765 B12R1.118 C=C=C(CO)Cc1ccccc1 Amb25777134 [1,0,1,0,0,0|1,0,1]=4 766 B12R1.118 C=C[C@@H](CO)Nc1ccccc1 Amb25763187 [1,0,1,0,0,0|2,0,0]=4 767 B12R1.118 CCC(Cc1ccccc1)CN Amb10778756 [1,0,1,0,0,0|1,0,1]=4 768 B12R1.118 CC\C(\Cc1ccccc1)=N\N Amb25057429 [1,0,1,0,0,0|1,0,1]=4 769 B12R1.118 CN[C@@H](CO)Cc1ccccc1 Amb22745072 [1,0,1,0,0,0|0,0,2]=4 770 B12R1.118 N#CC(CO)Cc1ccccc1 Amb18110109 [1,0,1,0,0,0|0,0,2]=4 771 B12R1.118 NCC(CO)Cc1ccccc1 Amb22899484 [1,0,1,0,0,0|0,0,1]=3 772 B12R1.118 NCC(CO)Nc1ccccc1 Amb25776544 [1,0,1,0,0,0|1,0,1]=4 773 B12R1.118 OC\C(\Cc1ccccc1)=C\F Amb25037074 [1,0,1,0,0,0|1,0,1]=4 774 B12R1.118 OC\C(\Cc1ccccc1)=N\O Amb25052256 [1,0,1,0,0,0|1,0,1]=4 775 B12R1.252 CC(=N)NCCc1ccccc1 Amb25148437 [1,0,1,0,0,0|0,0,2]=4 776 B12R1.252 CC(C)=CCCc1ccccc1 Amb17843373 [1,0,1,0,0,0|2,0,0]=4 777 B12R1.252 CC(C)=NNCc1ccccc1 Amb24421246 [1,0,1,0,0,0|2,0,0]=4 778 B12R1.252 CC(N)=N\C=C\c1ccccc1 Amb25273902 [1,0,1,0,0,0|0,0,2]=4 779 B12R1.252 C\C(\N)=N\N=Cc1ccccc1 Amb25362013 [1,0,1,0,0,0|1,0,1]=4 780 B12R1.252 NC(=N)NCCc1ccccc1 Amb22736089 [1,0,1,0,0,0|1,0,1]=4 781 B12R1.252 NC(=N)NCCc1ccccc1 Amb22736599 [1,0,1,0,0,0|1,0,1]=4 782 B12R1.252 NC(=N)SCCc1ccccc1 Amb20675983 [1,0,1,0,0,0|2,0,0]=4 783 B12R1.252 NC(=O)NCCc1ccccc1 Amb1124980 [1,0,1,0,0,0|0,0,2]=4 784 B12R1.252 NC(=S)NCCc1ccccc1 Amb1647056 [1,0,1,0,0,0|0,1,1]=4 785 B12R1.252 OC(=O)CCC[13c]1[13cH][13cH][13cH][13cH][13cH]1 Amb22056045 [1,0,1,0,0,0|2,0,0]=4 786 B12R1.252 OC(=O)CCCc1ccccc1 Amb2388283 [1,0,1,0,0,0|2,0,0]=4 787 B14R1.494 C\C=N\N(CCO)Cc1ccccc1 Amb25837915 [0,1,1,0,0,0|2,0,0]=4 788 B14R1.549 OC[C@H](Cc1ccccc1)NC(=O)C Amb17102648 [0,1,1,0,0,0|1,0,1]=4 789 B14R1.148 NC(=N)NCCNc1cccc(Br)c1 Amb25307490 [0,1,1,0,0,0|2,0,0]=4 790 B14R1.159 NC(=N)SCCOc1ccccc1F Amb13960323 [0,1,1,0,0,0|1,1,0]=4 791 B14R1.420 CC(c1ccccc1)CCSC(=N)N Amb16205284 [0,1,1,0,0,0|0,1,0]=3 792 B14R1.420 CC(c1ccccc1)CCSC(=N)N Amb1926876 [0,1,1,0,0,0|0,1,0]=3 793 B14R1.420 CN(c1ccccc1)CCNC(=N)N Amb1063605 [0,1,1,0,0,0|2,0,0]=4 794 B14R1.677 CC(=O)OCCCc1ccc(Br)cc1 Amb24046248 [0,1,1,0,0,0|2,0,0]=4 795 B14R1.677 Cc1ccc(CCCNC(N)=N)cc1 Amb18565018 [0,1,1,0,0,0|1,0,0]=3 796 B14R1.677 Cc1ccc(cc1)OCCNC(N)=N Amb22460555 [0,1,1,0,0,0|2,0,0]=4 797 B14R1.677 NC(=N)SCCOc1ccc(F)cc1 Amb20675989 [0,1,1,0,0,0|1,1,0]=4 798 B14R1.677 NC(=O)OCCOc1ccc(cc1)C Amb2229039 [0,1,1,0,0,0|2,0,0]=4 799 B14R1.716 C=CC(=O)OCCCc1ccccc1 Amb17934135 [0,1,1,0,0,0|2,0,0]=4 800 B14R1.716 CNC(=O)OCCOc1ccccc1 Amb24081214 [0,1,1,0,0,0|2,0,0]=4 801 B14R1.716 C\N=C(\N)/NCCNc1ccccc1 Amb25318489 [0,1,1,0,0,0|2,0,0]=4 802 B14R1.716 NNC(=O)CCCCc1ccccc1 Amb22484620 [0,1,1,0,0,0|2,0,0]=4 803 B14R1.716 N\C(=N\N)\SCOCc1ccccc1 Amb24345527 [0,1,1,0,0,0|1,1,0]=4 804 B14R1.716 N\C(\CCNCc1ccccc1)=N/O Amb19981283 [0,1,1,0,0,0|2,0,0]=4 805 B14R1.716 N\C(\CCNCc1ccccc1)=N/O Amb24109264 [0,1,1,0,0,0|2,0,0]=4 806 B14R1.716 O=C(CBr)OCCCc1ccccc1 Amb24094180 [0,1,1,0,0,0|2,0,0]=4 807 B14R1.818 CC(CCc1ccccc1)NC(N)=N Amb19073485 [0,1,1,0,0,0|1,0,0]=3 808 B14R1.818 CC(CCc1ccccc1)NC(N)=O Amb19078987 [0,1,1,0,0,0|2,0,0]=4 809 B14R1.337 CC(Cc1ccccc1C)CC(=O)O Amb17235384 [0,1,1,0,0,0|2,0,0]=4 810 B14R1.337 CC(Cc1ccccc1Cl)CC(=O)O Amb17241244 [0,1,1,0,0,0|2,0,0]=4 811 B14R1.337 CC(Cc1ccccc1F)CC(=O)O Amb17236372 [0,1,1,0,0,0|2,0,0]=4 812 B14R1.417 CC(C)=NC(C)C(O)c1ccccc1 Amb24648156 [0,1,1,0,0,0|2,0,0]=4 813 B14R1.417 CC(C)=N[C@@H](C)[C@H](O)c1ccccc1 Amb24718349 [0,1,1,0,0,0|2,0,0]=4 814 B14R1.417 CC(C)=N[C@H](C)[C@@H](O)c1ccccc1 Amb25057756 [0,1,1,0,0,0|2,0,0]=4 815 B14R1.417 CC(NC(N)=O)C(Cl)c1ccccc1 Amb24668959 [0,1,1,0,0,0|0,0,2]=4 816 B14R1.417 CC(NC(N)=O)C(O)c1ccccc1 Amb25772992 [0,1,1,0,0,0|0,0,2]=4 817 B14R1.417 C[C@@H](NC(N)=O)[C@@H](O)c1ccccc1 Amb24433430 [0,1,1,0,0,0|0,0,2]=4 818 B14R1.417 C[C@@H](NC(N)=O)[C@H](Cl)c1ccccc1 Amb25785564 [0,1,1,0,0,0|0,0,2]=4 819 B14R1.417 C[C@@H](NC(N)=O)[C@H](O)c1ccccc1 Amb25055138 [0,1,1,0,0,0|0,0,2]=4 820 B14R1.425 CC(Cc1ccccc1)N(N)C(N)=O Amb22446446 [0,1,1,0,0,0|0,0,2]=4 821 B14R1.698 CC(Cc1ccc(Cl)cc1)NC(N)=O Amb22461493 [0,1,1,0,0,0|0,0,2]=4 822 B14R1.698 CC(Cc1ccc(Cl)cc1)OC(O)=O Amb24063646 [0,1,1,0,0,0|2,0,0]=4 823 B14R1.698 CC(Cc1ccc(F)cc1)NC(N)=N Amb19063456 [0,1,1,0,0,0|1,0,1]=4 824 B14R1.698 CC(Cc1ccc(F)cc1)NC(N)=O Amb19053109 [0,1,1,0,0,0|0,0,2]=4 825 B14R1.698 CC(Cc1ccc(F)cc1)NC(N)=S Amb25183178 [0,1,1,0,0,0|0,1,1]=4 826 B14R1.698 CC(Cc1ccc(cc1)Br)CC(=O)O Amb17265523 [0,1,1,0,0,0|2,0,0]=4 827 B14R1.698 CC(Cc1ccc(cc1)F)CC(=O)O Amb17236375 [0,1,1,0,0,0|2,0,0]=4 828 B14R1.698 CC(Cc1ccc(cc1)O)CC(=O)O Amb17336807 [0,1,1,0,0,0|2,0,0]=4 829 B14R1.1485 CC(C)(Cc1ccccc1)NC(N)=O Amb25858099 [0,1,1,0,0,0|0,0,2]=4 830 B14R1.1485 CC(C)(Cc1ccccc1)NC(N)=S Amb25711112 [0,1,1,0,0,0|0,1,1]=4 831 B14R1.1485 CC(C)(Cc1ccccc1)OC(N)=O Amb24084628 [0,1,1,0,0,0|1,0,1]=4 832 B14R1.1485 C\C(\N)=N\[N+](C)(C)Cc1ccccc1 Amb25344895 [0,1,1,0,0,0|2,0,0]=4 833 B14R1.1485 OC(=O)CC(Cc1ccccc1)(C)C Amb17336451 [0,1,1,0,0,0|2,0,0]=4 834 B14R1.5978 CC(Cc1cccc(Cl)c1)NC(N)=O Amb24753672 [0,1,1,0,0,0|0,0,2]=4 835 B14R1.5978 CC(Cc1cccc(F)c1)CC(O)=O Amb19149363 [0,1,1,0,0,0|2,0,0]=4 836 B14R1.5978 CC(Cc1cccc(F)c1)NC(N)=O Amb25375940 [0,1,1,0,0,0|0,0,2]=4 837 B14R1.5978 CC(Cc1cccc(c1)Br)CC(=O)O Amb17265519 [0,1,1,0,0,0|2,0,0]=4 838 B14R1.5978 CC(Cc1cccc(c1)Cl)CC(=O)O Amb17241247 [0,1,1,0,0,0|2,0,0]=4 839 B14R1.5978 CC(Cc1cccc(c1)O)CC(=O)O Amb17336809 [0,1,1,0,0,0|2,0,0]=4 840 B14R1.13 CN=C(NCCc1ccc(cc1)Cl)N Amb11206703 [0,1,1,0,0,0|1,0,1]=4 841 B14R1.13 COC(=O)CCCc1ccc(Br)cc1 Amb18629275 [0,1,1,0,0,0|2,0,0]=4 842 B14R1.13 COC(=O)CCCc1ccc(Cl)cc1 Amb18629276 [0,1,1,0,0,0|2,0,0]=4 843 B14R1.13 COC(=O)CCCc1ccc(F)cc1 Amb18110191 [0,1,1,0,0,0|2,0,0]=4 844 B14R1.13 COC(=O)CCCc1ccc(N)cc1 Amb22728278 [0,1,1,0,0,0|2,0,0]=4 845 B14R1.13 COC(=O)NCCc1ccc(Br)cc1 Amb23589074 [0,1,1,0,0,0|1,0,1]=4 846 B14R1.13 Cc1ccc(CCCC(=O)OC)cc1 Amb18110189 [0,1,1,0,0,0|2,0,0]=4 847 B14R1.163 COC(=O)CCC(N)c1ccccc1 Amb19373309 [0,1,1,0,0,0|2,0,0]=4 848 B14R1.163 COC(=O)CCC(c1ccccc1)N Amb10610596 [0,1,1,0,0,0|2,0,0]=4 849 B14R1.546 CN\C(\NCCc1ccccc1)=N\C Amb24710194 [0,1,1,0,0,0|1,0,1]=4 850 B14R1.546 CN\C(\NCCc1ccccc1)=N\N Amb25121072 [0,1,1,0,0,0|1,0,1]=4 851 B14R1.756 COC(=O)C(=O)CCc1ccccc1 Amb10069228 [0,1,1,0,0,0|2,0,0]=4 852 B14R1.756 COC(=O)C(Br)CCc1ccccc1 Amb22500039 [0,1,1,0,0,0|2,0,0]=4 853 B14R1.756 COC(=O)C(C)CCc1ccccc1 Amb17844109 [0,1,1,0,0,0|2,0,0]=4 854 B14R1.756 COC(=O)C(N)CCc1ccccc1 Amb23439021 [0,1,1,0,0,0|2,0,0]=4 855 B14R1.756 COC(=O)[C@@H](N)CCc1ccccc1 Amb23439002 [0,1,1,0,0,0|2,0,0]=4 856 B14R1.837 COC(=O)NCCc1ccccc1Br Amb22831370 [0,1,1,0,0,0|1,0,1]=4 857 B14R1.837 COC(=O)NCCc1ccccc1N Amb17777450 [0,1,1,0,0,0|1,0,1]=4 858 B14R1.1025 COC(=O)NCCc1cccc(O)c1 Amb22395729 [0,1,1,0,0,0|1,0,1]=4 859 B14R2.30 Nc1oc[n]c1Cc2ccccc2 Amb22296988 [1,1,0,0,0,0|0,0,2]=4 860 B14R2.30 O=C1C=CCC1Cc2ccccc2 Amb25767734 [1,1,0,0,0,0|2,0,0]=4 861 B14R2.30 O=C1C=CC[C@H]1Cc2ccccc2 Amb25142619 [1,1,0,0,0,0|2,0,0]=4 862 B14R2.30 OC1OCCC1Cc2ccccc2 Amb22752559 [1,1,0,0,0,0|1,0,1]=4 863 B14R2.30 O[C@@H]1COC[C@@H]1Cc2ccccc2 Amb24654939 [1,1,0,0,0,0|1,0,1]=4 864 B14R2.30 O[C@H]1CC=C[C@@H]1Cc2ccccc2 Amb25234756 [1,1,0,0,0,0|2,0,0]=4 865 B14R2.72 Brc1ccc(Cc2[n]oc[n]2)cc1 Amb24349671 [1,1,0,0,0,0|1,0,1]=4 866 B14R2.72 Clc1ccc(Cc2[n]oc[n]2)cc1 Amb25776211 [1,1,0,0,0,0|1,0,1]=4 867 B14R2.72 Nc1ccc(Cc2[n]oc[n]2)cc1 Amb23030697 [1,1,0,0,0,0|1,0,1]=4 868 B14R2.114 BrC(C1CCOC1)c2ccccc2 Amb24446311 [1,1,0,0,0,0|1,0,1]=4 869 B14R2.114 ClC(C1CCOC1)c2ccccc2 Amb18318158 [1,1,0,0,0,0|1,0,1]=4 870 B14R2.114 NC(C1CCOC1)c2ccccc2 Amb18952434 [1,1,0,0,0,0|1,0,1]=4 871 B14R2.114 NC(c1coc[n]1)c2ccccc2 Amb18825246 [1,1,0,0,0,0|0,0,2]=4 872 B14R2.114 O=C(C1COC=C1)c2ccccc2 Amb24621281 [1,1,0,0,0,0|1,0,1]=4 873 B14R2.114 OC(C1CC=CC1)c2ccccc2 Amb25752960 [1,1,0,0,0,0|2,0,0]=4 874 B14R2.114 OC(C1CCOC1)c2ccccc2 Amb18790941 [1,1,0,0,0,0|1,0,1]=4 875 B14R2.114 O[C@@H]([C@@H]1COCO1)c2ccccc2 Amb25206342 [1,1,0,0,0,0|1,0,1]=4 876 B14R2.114 O[C@@H]([C@H]1CCC=C1)c2ccccc2 Amb25236561 [1,1,0,0,0,0|2,0,0]=4 877 B14R2.114 O[C@@H]([C@H]1COCO1)c2ccccc2 Amb25345020 [1,1,0,0,0,0|1,0,1]=4 878 B14R2.411 FC1(COCC1)Cc2ccccc2 Amb25241891 [1,1,0,0,0,0|1,0,1]=4 879 B14R2.8 CNC=1CC(CN1)c2ccccc2 Amb24375653 [0,1,0,0,1,0|2,0,0]=4 880 B14R2.8 CNc1[n]c(co1)-c2ccccc2 Amb22301262 [0,1,0,0,1,0|0,0,2]=4 881 B14R2.8 CNc1onc(n1)c2ccccc2 Amb13952748 [0,1,0,0,1,0|1,0,1]=4 882 B14R2.8 ClCC1=N[C@H](CO1)c2ccccc2 Amb25331175 [0,1,0,0,1,0|1,0,0]=3 883 B14R2.8 NCC1OCC(O1)c2ccccc2 Amb17470594 [0,1,0,0,1,0|1,0,1]=4 884 B14R2.8 NCc1[n]c(co1)-c2ccccc2 Amb18065511 [0,1,0,0,1,0|0,0,2]=4 885 B14R2.8 NCc1onc(n1)c2ccccc2 Amb15740869 [0,1,0,0,1,0|1,0,1]=4 886 B14R2.8 NN=C1N=C(CS1)c2ccccc2 Amb22441650 [0,1,0,0,1,0|0,1,1]=4 887 B14R2.8 NNC1=NC(N=N1)c2ccccc2 Amb25074793 [0,1,0,0,1,0|2,0,0]=4 888 B14R2.8 NNC=1NCC(N1)c2ccccc2 Amb25350104 [0,1,0,0,1,0|1,0,0]=3 889 B14R2.8 NNc1[n]c(co1)-c2ccccc2 Amb18127435 [0,1,0,0,1,0|0,0,2]=4 890 B14R2.8 NNc1onc(n1)c2ccccc2 Amb1945435 [0,1,0,0,1,0|1,0,1]=4 891 B14R2.20 Brc1ccc(cc1)c2coc(n2)N Amb17409981 [0,1,0,0,1,0|0,0,2]=4 892 B14R2.20 Brc1ccc(cc1)c2noc(n2)N Amb17255061 [0,1,0,0,1,0|1,0,1]=4 893 B14R2.20 Cc1ccc(cc1)C2COC(=O)N2 Amb25082390 [0,1,0,0,1,0|1,0,1]=4 894 B14R2.20 Cc1ccc(cc1)C2COC(N)=N2 Amb25843058 [0,1,0,0,1,0|0,0,0]=2 895 B14R2.20 Cc1ccc(cc1)c2coc(n2)N Amb17400434 [0,1,0,0,1,0|0,0,2]=4 896 B14R2.20 Cc1ccc(cc1)c2noc(n2)N Amb17233067 [0,1,0,0,1,0|1,0,1]=4 897 B14R2.20 Clc1ccc(cc1)c2coc(n2)N Amb17401988 [0,1,0,0,1,0|0,0,2]=4 898 B14R2.20 Fc1ccc(cc1)c2coc(n2)N Amb17400645 [0,1,0,0,1,0|0,0,2]=4 899 B14R2.20 Fc1ccc(cc1)c2noc(n2)N Amb13777433 [0,1,0,0,1,0|1,0,1]=4 900 B14R2.20 NC1=NC(CO1)c2ccc(Br)cc2 Amb24367563 [0,1,0,0,1,0|0,0,0]=2 901 B14R2.20 NC1=NC(CO1)c2ccc(Cl)cc2 Amb25180772 [0,1,0,0,1,0|0,0,0]=2 902 B14R2.20 NC1=NC(CO1)c2ccc(I)cc2 Amb25231900 [0,1,0,0,1,0|0,0,0]=2 903 B14R2.20 NC1=NCC(O1)c2ccc(Br)cc2 Amb19894994 [0,1,0,0,1,0|2,0,0]=4 904 B14R2.20 NC1=NCC(O1)c2ccc(cc2)C Amb17617189 [0,1,0,0,1,0|2,0,0]=4 905 B14R2.20 NC1=N[C@H](CO1)c2ccc(F)cc2 Amb25752666 [0,1,0,0,1,0|0,0,0]=2 906 B14R2.20 NC=1CC(CN1)c2ccc(N)cc2 Amb25101574 [0,1,0,0,1,0|2,0,0]=4 907 B14R2.20 NC=1CCN(N1)c2ccc(Br)cc2 Amb18135195 [0,1,0,0,1,0|2,0,0]=4 908 B14R2.20 NC=1CCN(N1)c2ccc(F)cc2 Amb24330512 [0,1,0,0,1,0|2,0,0]=4 909 B14R2.20 NC=1NC(CN1)c2ccc(Br)cc2 Amb25280454 [0,1,0,0,1,0|1,0,1]=4 910 B14R2.20 NC=1NC(CN1)c2ccc(Cl)cc2 Amb25335232 [0,1,0,0,1,0|1,0,1]=4 911 B14R2.20 NC=1NC(CN1)c2ccc(F)cc2 Amb25829306 [0,1,0,0,1,0|1,0,1]=4 912 B14R2.20 NC=1NCC(N1)c2ccc(O)cc2 Amb24102719 [0,1,0,0,1,0|1,0,0]=3 913 B14R2.20 Nc1[n]c([n]o1)-c2ccc(O)cc2 Amb25781409 [0,1,0,0,1,0|1,0,1]=4 914 B14R2.20 Nc1[n]c(co1)-c2ccc(O)cc2 Amb18127595 [0,1,0,0,1,0|0,0,2]=4 915 B14R2.20 Nc1ccc(cc1)-c2coc(N)[n]2 Amb24396099 [0,1,0,0,1,0|0,0,2]=4 916 B14R2.20 Nc1ccc(cc1)N2CCC(=N2)N Amb10808895 [0,1,0,0,1,0|2,0,0]=4 917 B14R2.20 O=C1CC(CO1)c2ccc(Cl)cc2 Amb24097675 [0,1,0,0,1,0|2,0,0]=4 918 B14R2.20 O=C1NC(CO1)c2ccc(Br)cc2 Amb24419169 [0,1,0,0,1,0|1,0,1]=4 919 B14R2.20 O=C1N[C@@H](CO1)c2ccc(I)cc2 Amb25311681 [0,1,0,0,1,0|1,0,1]=4 920 B14R2.20 O=C1N[C@H](CO1)c2ccc(Br)cc2 Amb25715338 [0,1,0,0,1,0|1,0,1]=4 921 B14R2.20 O=C1N[C@H](CO1)c2ccc(Cl)cc2 Amb25816140 [0,1,0,0,1,0|1,0,1]=4 922 B14R2.20 Oc1ccc(cc1)C2COC(=O)N2 Amb24709902 [0,1,0,0,1,0|1,0,1]=4 923 B14R2.20 Oc1ccc(cc1)[C@@H]2COC(=O)N2 Amb24490125 [0,1,0,0,1,0|1,0,1]=4 924 B14R2.22 Brc1cccc(c1)c2noc(n2)N Amb17255060 [0,1,0,0,1,0|1,0,1]=4 925 B14R2.22 Cc1cc(ccc1)-c2coc(N)[n]2 Amb18946540 [0,1,0,0,1,0|0,0,2]=4 926 B14R2.22 Cc1cc(ccc1)C2CN=C(N)O2 Amb25774642 [0,1,0,0,1,0|2,0,0]=4 927 B14R2.22 Cc1cc(ccc1)C2COC(N)=N2 Amb25280634 [0,1,0,0,1,0|0,0,0]=2 928 B14R2.22 Cc1cc(ccc1)[C@H]2COC(=O)N2 Amb24472273 [0,1,0,0,1,0|1,0,1]=4 929 B14R2.22 Cc1cccc(c1)c2noc(n2)N Amb17233066 [0,1,0,0,1,0|1,0,1]=4 930 B14R2.22 Clc1cccc(c1)c2noc(n2)N Amb17236308 [0,1,0,0,1,0|1,0,1]=4 931 B14R2.22 NC1=NC(CO1)c2cc(Br)c[n]c2 Amb24576432 [0,1,0,0,1,0|1,0,0]=3 932 B14R2.22 NC1=NC(CO1)c2cccc(Br)c2 Amb24618055 [0,1,0,0,1,0|0,0,0]=2 933 B14R2.22 NC1=NC(CO1)c2cccc(Cl)c2 Amb25670116 [0,1,0,0,1,0|0,0,0]=2 934 B14R2.22 NC1=NC(CO1)c2cccc(I)c2 Amb25294970 [0,1,0,0,1,0|0,0,0]=2 935 B14R2.22 NC1=NC(CO1)c2cccc(O)c2 Amb25354397 [0,1,0,0,1,0|0,0,0]=2 936 B14R2.22 NC1=NCC(O1)c2cccc(O)c2 Amb24429107 [0,1,0,0,1,0|2,0,0]=4 937 B14R2.22 NC1=N[C@H](CO1)c2cccc(Cl)c2 Amb24658428 [0,1,0,0,1,0|0,0,0]=2 938 B14R2.22 NC1=N[C@H](CO1)c2cccc(F)c2 Amb25180742 [0,1,0,0,1,0|0,0,0]=2 939 B14R2.22 NC=1CCN(N1)c2cccc(Br)c2 Amb24419288 [0,1,0,0,1,0|2,0,0]=4 940 B14R2.22 NC=1CCN(N1)c2cccc(Cl)c2 Amb24105111 [0,1,0,0,1,0|2,0,0]=4 941 B14R2.22 NC=1CCN(N1)c2cccc(F)c2 Amb24105113 [0,1,0,0,1,0|2,0,0]=4 942 B14R2.22 NC=1NC(CN1)c2cccc(Br)c2 Amb25719699 [0,1,0,0,1,0|1,0,1]=4 943 B14R2.22 NC=1NC(CN1)c2cccc(Cl)c2 Amb25335231 [0,1,0,0,1,0|1,0,1]=4 944 B14R2.22 NC=1NC(CN1)c2cccc(F)c2 Amb25743348 [0,1,0,0,1,0|1,0,1]=4 945 B14R2.22 NC=1NCC(N1)c2cccc(O)c2 Amb24085156 [0,1,0,0,1,0|1,0,0]=3 946 B14R2.22 Nc1[n]c([n]o1)-c2cc(F)ccc2 Amb18947449 [0,1,0,0,1,0|1,0,1]=4 947 B14R2.22 Nc1[n]c(co1)-c2cc(Br)ccc2 Amb18946533 [0,1,0,0,1,0|0,0,2]=4 948 B14R2.22 Nc1[n]c(co1)-c2cc(Cl)ccc2 Amb18279630 [0,1,0,0,1,0|0,0,2]=4 949 B14R2.22 Nc1[n]c(co1)-c2cc(F)ccc2 Amb18946534 [0,1,0,0,1,0|0,0,2]=4 950 B14R2.22 Nc1cc(ccc1)C2CSC(N)=N2 Amb25785040 [0,1,0,0,1,0|0,1,0]=3 951 B14R2.22 O=C1NC(CO1)c2cccc(F)c2 Amb25316630 [0,1,0,0,1,0|1,0,1]=4 952 B14R2.22 O=C1NC(CO1)c2cccc(I)c2 Amb25100583 [0,1,0,0,1,0|1,0,1]=4 953 B14R2.22 O=C1N[C@@H](CO1)c2cccc(Br)c2 Amb24513687 [0,1,0,0,1,0|1,0,1]=4 954 B14R2.22 O=C1N[C@@H](CO1)c2cccc(F)c2 Amb25153939 [0,1,0,0,1,0|1,0,1]=4 955 B14R2.22 O=C1N[C@H](CO1)c2cccc(Br)c2 Amb24730803 [0,1,0,0,1,0|1,0,1]=4 956 B14R2.22 Oc1cc(ccc1)C2COC(=O)N2 Amb25283568 [0,1,0,0,1,0|1,0,1]=4 957 B14R2.22 Oc1cc(ccc1)[C@H]2COC(=O)N2 Amb24462997 [0,1,0,0,1,0|1,0,1]=4 958 B14R2.256 Cc1ccccc1-c2coc(N)[n]2 Amb18279615 [0,1,0,0,1,0|0,0,2]=4 959 B14R2.256 Cc1ccccc1N2CCC(N)=N2 Amb24373209 [0,1,0,0,1,0|2,0,0]=4 960 B14R2.256 Cc1ccccc1[C@@H]2COC(=O)N2 Amb25153778 [0,1,0,0,1,0|1,0,1]=4 961 B14R2.256 Cc1ccccc1[C@H]2COC(=O)N2 Amb25341207 [0,1,0,0,1,0|1,0,1]=4 962 B14R2.256 NC1=NC(CO1)c2ccccc2Br Amb25752148 [0,1,0,0,1,0|0,0,0]=2 963 B14R2.256 NC1=NCC(O1)c2ccccc2Cl Amb25780023 [0,1,0,0,1,0|2,0,0]=4 964 B14R2.256 NC1=NCC(O1)c2ccccc2F Amb25821951 [0,1,0,0,1,0|2,0,0]=4 965 B14R2.256 NC1=N[C@H](CO1)c2ccccc2Cl Amb25797405 [0,1,0,0,1,0|0,0,0]=2 966 B14R2.256 NC=1CCN(N1)c2ccccc2Br Amb24392654 [0,1,0,0,1,0|2,0,0]=4 967 B14R2.256 NC=1CCN(N1)c2ccccc2F Amb24489161 [0,1,0,0,1,0|2,0,0]=4 968 B14R2.256 NC=1NC(CN1)c2ccccc2Br Amb25117134 [0,1,0,0,1,0|1,0,1]=4 969 B14R2.256 NC=1NC(CN1)c2ccccc2Cl Amb24394608 [0,1,0,0,1,0|1,0,1]=4 970 B14R2.256 NC=1NC(CN1)c2ccccc2F Amb24394607 [0,1,0,0,1,0|1,0,1]=4 971 B14R2.256 Nc1[n]c([n]o1)-c2ccccc2Br Amb18280121 [0,1,0,0,1,0|1,0,1]=4 972 B14R2.256 Nc1[n]c(co1)-c2ccccc2Br Amb18279628 [0,1,0,0,1,0|0,0,2]=4 973 B14R2.256 Nc1[n]c(co1)-c2ccccc2Cl Amb18279627 [0,1,0,0,1,0|0,0,2]=4 974 B14R2.256 Nc1[n]c(co1)-c2ccccc2F Amb18279617 [0,1,0,0,1,0|0,0,2]=4 975 B14R2.256 Nc1[n]c(co1)-c2ccccc2O Amb18127596 [0,1,0,0,1,0|0,0,2]=4 976 B14R2.256 Nc1ccccc1C2COC(=O)N2 Amb24679539 [0,1,0,0,1,0|1,0,1]=4 977 B14R2.256 Nc1onc(n1)c2ccccc2C Amb17233065 [0,1,0,0,1,0|1,0,1]=4 978 B14R2.256 Nc1onc(n1)c2ccccc2Cl Amb17236307 [0,1,0,0,1,0|1,0,1]=4 979 B14R2.256 Nc1onc(n1)c2ccccc2F Amb17233510 [0,1,0,0,1,0|1,0,1]=4 980 B14R2.256 O=C1NC(CO1)c2ccccc2Br Amb25061795 [0,1,0,0,1,0|1,0,1]=4 981 B14R2.256 O=C1NC(CO1)c2ccccc2Cl Amb24714277 [0,1,0,0,1,0|1,0,1]=4 982 B14R2.256 O=C1NC(CO1)c2ccccc2F Amb24642133 [0,1,0,0,1,0|1,0,1]=4 983 B14R2.256 O=C1N[C@@H](CO1)c2ccccc2Br Amb24447521 [0,1,0,0,1,0|1,0,1]=4 984 B14R2.256 O=C1N[C@@H](CO1)c2ccccc2Cl Amb25328280 [0,1,0,0,1,0|1,0,1]=4 985 B14R2.256 O=C1N[C@H](CO1)c2ccccc2Br Amb25050168 [0,1,0,0,1,0|1,0,1]=4 986 B14R2.256 O=C1N[C@H](CO1)c2ccccc2F Amb25085105 [0,1,0,0,1,0|1,0,1]=4 987 B14R2.260 CC1CN(N=C1N)c2ccccc2 Amb24358022 [0,1,0,0,1,0|2,0,0]=4 988 B14R2.260 NC1=NN(CC1=O)c2ccccc2 Amb22330405 [0,1,0,0,1,0|2,0,0]=4 989 B14R2.598 CC1CC(N)=NN1c2ccccc2 Amb25772854 [0,1,0,0,1,0|2,0,0]=4 990 B14R2.598 CC1N=C(N)CC1c2ccccc2 Amb25700422 [0,1,0,0,1,0|2,0,0]=4 991 B14R2.598 CC1N=C(N)OC1c2ccccc2 Amb22055741 [0,1,0,0,1,0|2,0,0]=4 992 B14R2.598 CC1N=C(N)SC1c2ccccc2 Amb24356664 [0,1,0,0,1,0|2,0,0]=4 993 B14R2.598 CC1OC(=O)NC1c2ccccc2 Amb25759483 [0,1,0,0,1,0|1,0,1]=4 994 B14R2.598 CC1OC(=O)OC1c2ccccc2 Amb25263220 [0,1,0,0,1,0|2,0,0]=4 995 B14R2.598 CC1OC(=S)NC1c2ccccc2 Amb25077303 [0,1,0,0,1,0|1,0,1]=4 996 B14R2.598 CC1OC(N)=NC1c2ccccc2 Amb24710185 [0,1,0,0,1,0|0,0,0]=2 997 B14R2.598 C[C@@H]1N=C(N)O[C@@H]1c2ccccc2 Amb25275397 [0,1,0,0,1,0|2,0,0]=4 998 B14R2.598 C[C@@H]1OC(=O)N[C@@H]1c2ccccc2 Amb25226668 [0,1,0,0,1,0|1,0,1]=4 999 B14R2.598 C[C@@H]1OC(=O)N[C@H]1c2ccccc2 Amb25220629 [0,1,0,0,1,0|1,0,1]=4 1000 B14R2.598 C[C@H]1N=C(N)S[C@H]1c2ccccc2 Amb25366588 [0,1,0,0,1,0|2,0,0]=4 1001 B14R2.598 Cc1oc(N)[n]c1-c2ccccc2 Amb18279626 [0,1,0,0,1,0|0,0,2]=4 1002 B14R2.598 NC1=NC(C(=O)O1)c2ccccc2 Amb24587284 [0,1,0,0,1,0|0,0,1]=3 1003 B14R2.598 NC1=NC(C(=O)S1)c2ccccc2 Amb24635696 [0,1,0,0,1,0|0,1,1]=4 1004 B14R2.598 Nc1[n]c(c(Cl)o1)-c2ccccc2 Amb18130142 [0,1,0,0,1,0|0,0,2]=4 1005 B14R2.598 Nc1oc(N)[n]c1-c2ccccc2 Amb24594959 [0,1,0,0,1,0|0,0,2]=4 1006 B14R2.598 OC1OC(=O)CC1c2ccccc2 Amb25058513 [0,1,0,0,1,0|2,0,0]=4 1007 B14R2.598 OC1OC(=O)C[C@H]1c2ccccc2 Amb24748335 [0,1,0,0,1,0|2,0,0]=4 1008 B14R2.598 OC1OC(=O)OC1c2ccccc2 Amb25788943 [0,1,0,0,1,0|2,0,0]=4 1009 B14R2.2950 CC1(CN=C(N)N1)c2ccccc2 Amb25191871 [0,1,0,0,1,0|1,0,1]=4 1010 B14R2.2950 CC1(COC(=O)N1)c2ccccc2 Amb23454646 [0,1,0,0,1,0|1,0,1]=4 1011 B14R2.2950 CC1(COC(N)=N1)c2c[n]cc[n]2 Amb24343909 [0,1,0,0,1,0|2,0,0]=4 1012 B14R2.2950 CC1(COC(N)=N1)c2c[n]ccc2 Amb24593981 [0,1,0,0,1,0|1,0,0]=3 1013 B14R2.2950 C[C@@]1(COC(=O)N1)c2ccccc2 Amb24344040 [0,1,0,0,1,0|1,0,1]=4 1014 B14R2.2950 C[C@]1(COC(N)=N1)c2ccccc2 Amb24561011 [0,1,0,0,1,0|0,0,0]=2 1015 B14R2.4514 C=C1C(COC1=O)c2ccccc2 Amb24417074 [0,1,0,0,1,0|2,0,0]=4 1016 B14R2.4514 CN1C(COC1=O)c2ccccc2 Amb25191541 [0,1,0,0,1,0|1,0,1]=4 1017 B14R2.4514 CN1[C@H](COC1=O)c2ccccc2 Amb24362005 [0,1,0,0,1,0|1,0,1]=4 1018 B14R2.270 NC1CCC1Cc2cc(Cl)ccc2 Amb25118105 [0,1,0,0,1,0|1,0,1]=4 1019 B14R2.270 NC1CCC1Cc2cc(F)ccc2 Amb24419342 [0,1,0,0,1,0|1,0,1]=4 1020 B14R2.335 O[C@H]([C@H]1CNC1=O)c2ccccc2 Amb25302360 [0,1,0,0,1,0|2,0,0]=4 1021 B14R2.427 C=C1C(Cc2ccccc2)CC1=O Amb25263562 [0,1,0,0,1,0|2,0,0]=4 1022 B14R2.662 Cc1ccccc1CC2CCC2N Amb24385825 [0,1,0,0,1,0|1,0,1]=4 1023 B14R2.662 NC1CCC1Cc2ccccc2Br Amb25314744 [0,1,0,0,1,0|1,0,1]=4 1024 B14R2.662 NC1CCC1Cc2ccccc2F Amb25679505 [0,1,0,0,1,0|1,0,1]=4 1025 B14R2.727 CC1(Cc2ccccc2)CCC1=O Amb25053062 [0,1,0,0,1,0|2,0,0]=4 1026 B14R2.727 CC1(Cc2ccccc2)CNC1=O Amb25825202 [0,1,0,0,1,0|2,0,0]=4 1027 B14R2.727 C[C@@]1(Cc2ccccc2)CNC1=O Amb25309688 [0,1,0,0,1,0|2,0,0]=4 1028 B14R2.727 C[C@]1(Cc2ccccc2)CNC1=O Amb24462811 [0,1,0,0,1,0|2,0,0]=4 1029 B14R2.737 CC1NC(=O)C1Cc2ccccc2 Amb24493901 [0,1,0,0,1,0|2,0,0]=4 1030 B14R2.737 C[C@H]1NC(=O)C1Cc2ccccc2 Amb24462781 [0,1,0,0,1,0|2,0,0]=4 1031 B14R2.737 C[C@H]1NC(=O)[C@H]1Cc2ccccc2 Amb24588441 [0,1,0,0,1,0|2,0,0]=4 1032 B14R2.737 OC1CC(=O)C1Cc2ccccc2 Amb24453981 [0,1,0,0,1,0|2,0,0]=4 1033 B14R2.946 Cc1ccc(CC2CCC2N)cc1 Amb24460033 [0,1,0,0,1,0|1,0,1]=4 1034 B14R2.946 NC1CCC1Cc2ccc(F)cc2 Amb25809137 [0,1,0,0,1,0|1,0,1]=4 1035 B14R2.946 NC1CCC1Cc2ccc(I)cc2 Amb24392711 [0,1,0,0,1,0|1,0,1]=4 1036 B14R2.946 Nc1ccc(CC2CCC2=O)cc1 Amb24444689 [0,1,0,0,1,0|2,0,0]=4 1037 B14R2.90 NCC1CC(Cc2ccccc2)C1 Amb25045598 [0,1,0,0,1,0|1,0,1]=4 1038 B14R2.422 O[C@@H]([C@H]1CC(=O)N1)c2ccccc2 Amb25350566 [0,1,0,0,1,0|1,0,1]=4 1039 B14R2.431 NC1CC(F)(C1)Cc2ccccc2 Amb24713097 [0,1,0,0,1,0|1,0,1]=4 1040 B14R2.663 Cc1ccccc1CC2CC(N)C2 Amb25777341 [0,1,0,0,1,0|1,0,1]=4 1041 B14R2.663 NC1CC(C1)Cc2ccccc2F Amb25675947 [0,1,0,0,1,0|1,0,1]=4 1042 B14R2.947 NC1CC(C1)Cc2ccc(F)cc2 Amb25777340 [0,1,0,0,1,0|1,0,1]=4 1043 B16R2.33 Nc1ccc(CC2CNC(=O)OC2)cc1 Amb23590798 [0,1,0,0,0,1|1,0,1]=4 1044 B16R2.33 O=C1NCC(Cc2ccc(Br)cc2)CO1 Amb23590793 [0,1,0,0,0,1|1,0,1]=4 1045 B16R2.131 Nc1cc(CC2CNC(=O)OC2)ccc1 Amb23590797 [0,1,0,0,0,1|1,0,1]=4 1046 B16R2.131 O=C1NCC(Cc2cccc(Br)c2)CO1 Amb23590795 [0,1,0,0,0,1|1,0,1]=4 1047 B16R2.1129 Nc1ccccc1CC2CNC(=O)OC2 Amb23590796 [0,1,0,0,0,1|1,0,1]=4 1048 B16R2.1129 O=C1NCC(Cc2ccccc2Br)CO1 Amb23590794 [0,1,0,0,0,1|1,0,1]=4 1049 B16R2.137 O=C1OC(CO1)COc2ccc(Cl)cc2 Amb22454480 [0,1,0,0,0,1|2,0,0]=4 1050 B16R2.137 O=C1OC(CO1)CSc2ccc(Cl)cc2 Amb22454485 [0,1,0,0,0,1|2,0,0]=4 1051 B16R2.2334 NCc1[n]c(CCc2ccccc2)[n]o1 Amb24770969 [0,1,0,0,0,1|1,0,1]=4 1052 B16R2.2334 NCc1onc(n1)COc2ccccc2 Amb10789058 [0,1,0,0,0,1|1,0,1]=4 1053 B16R2.2334 NCc1onc(n1)COc2ccccc2 Amb15740915 [0,1,0,0,0,1|1,0,1]=4 1054 B16R2.2843 CN(Cc1ccccc1)C2COC(=O)C2 Amb24338218 [0,1,0,0,0,1|2,0,0]=4 1055 B16R2.2904 CC1OC(=O)CC1NCc2ccccc2 Amb24452253 [0,1,0,0,0,1|2,0,0]=4 1056 B16R2.5952 CC1C(COC1=O)NCc2ccccc2 Amb25368463 [0,1,0,0,0,1|2,0,0]=4 1057 B16R2.20 NCc1onc(n1)Cc2ccc(cc2)Cl Amb15741004 [0,2,0,0,0,0|1,0,1]=4 1058 B16R2.84 CC(N)c1[n]c(Cc2ccccc2)[n]o1 Amb20622584 [0,2,0,0,0,0|1,0,1]=4 1059 B16R2.84 FC(F)C1=N[C@@H](Cc2ccccc2)CO1 Amb22747331 [0,2,0,0,0,0|1,0,0]=3 1060 B16R2.92 NCCc1[n]c(Cc2ccccc2)[n]o1 Amb21955850 [0,2,0,0,0,0|1,0,1]=4 1061 B16R2.2353 NCc1[n]c([n]o1)C(N)c2ccccc2 Amb24116688 [0,2,0,0,0,0|1,0,1]=4 1062 B16R2.2363 Cc1ccccc1Cc2[n]c(CN)o[n]2 Amb24771668 [0,2,0,0,0,0|1,0,1]=4 1063 B16R2.2400 NCc1oc(c(n1)Cc2ccccc2)C Amb17087646 [0,2,0,0,0,0|0,0,2]=4 1064 B16R2.40 COc1ccc(cc1)CC2COC(=O)C2 Amb12806883 [0,2,0,0,0,0|2,0,0]=4 1065 B16R2.40 NNc1ccc(C[C@@H]2COC(=O)N2)cc1 Amb22747163 [0,2,0,0,0,0|1,0,1]=4 1066 B16R2.40 NNc1ccc(cc1)CC2COC(=O)N2 Amb16231667 [0,2,0,0,0,0|1,0,1]=4 1067 B16R2.33083 CN1C(Cc2ccc(N)cc2)COC1=O Amb18559561 [0,2,0,0,0,0|1,0,1]=4 1068 B16R2.2903 CC1(C)OC(=O)NC1Cc2ccccc2 Amb22486727 [0,2,0,0,0,0|1,0,1]=4 1069 B16R2.2903 O=C1N[C@H](C(O1)(C)C)Cc2ccccc2 Amb10844782 [0,2,0,0,0,0|1,0,1]=4 1070 B16R2.1969 COc1cccc(CC2COC(=O)C2)c1 Amb22055132 [0,2,0,0,0,0|2,0,0]=4 1071 B16R2.28 OCN1[C@@H](COC1=O)Cc2ccccc2 Amb10563102 [0,2,0,0,0,0|1,0,1]=4 1072 B14R2.277 OC1COC(=O)C1c2ccccc2 Amb24719649 [0,0,1,1,0,0|2,0,0]=4 1073 B14R2.517 O=COC1C(Cl)Cc2ccccc21 Amb24559806 [0,0,1,1,0,0|2,0,0]=4 1074 B14R2.517 O=COC1C(O)Cc2c1cccc2 Amb17594526 [0,0,1,1,0,0|2,0,0]=4 1075 B14R2.517 O=CO[C@@H]1[C@@H](Cl)Cc2ccccc21 Amb25258319 [0,0,1,1,0,0|2,0,0]=4 1076 B14R2.14 OCC1C=COC1c2ccccc2 Amb25739819 [0,0,1,1,0,0|2,0,0]=4 1077 B14R2.14 OC[C@H]1C=CO[C@H]1c2ccccc2 Amb24515325 [0,0,1,1,0,0|2,0,0]=4 1078 B14R2.35 O=CNC1COC1c2ccccc2 Amb25065265 [0,0,1,1,0,0|1,0,1]=4 1079 B14R2.44 C=CCC1Cc2ccccc2C1O Amb18185828 [0,0,1,1,0,0|2,0,0]=4 1080 B14R2.44 NCCC1Cc2ccccc2C1O Amb18824971 [0,0,1,1,0,0|1,0,1]=4 1081 B14R2.44 O=COC1Cc2c(C1O)cccc2 Amb17594527 [0,0,1,1,0,0|2,0,0]=4 1082 B14R2.44 O[C@@H]1[C@@H](Cc2ccccc21)OC=O Amb24576958 [0,0,1,1,0,0|2,0,0]=4 1083 B14R2.44 O[C@H]1[C@H](Cc2ccccc12)OC=O Amb17673664 [0,0,1,1,0,0|2,0,0]=4 1084 B14R2.44 [N-]=[N+]=NC1Cc2ccccc2[C@@H]1O Amb25695421 [0,0,1,1,0,0|1,0,1]=4 1085 B14R2.44 [N-]=[N+]=N[C@H]1Cc2ccccc2[C@@H]1O Amb25275246 [0,0,1,1,0,0|1,0,1]=4 1086 B14R2.44 [N-]=[N+]=N[C@H]1Cc2ccccc2[C@H]1O Amb25210954 [0,0,1,1,0,0|1,0,1]=4 1087 B14R2.112 NCCC1Cc2ccccc2OC1 Amb18195874 [0,0,1,1,0,0|1,0,1]=4 1088 B14R2.112 NNCC1Cc2ccccc2OC1 Amb24382769 [0,0,1,1,0,0|2,0,0]=4 1089 B14R2.112 O=C=NC1Cc2ccccc2OC1 Amb19334536 [0,0,1,1,0,0|1,0,1]=4 1090 B14R2.112 O=CNC1Cc2ccccc2OC1 Amb24629107 [0,0,1,1,0,0|1,0,1]=4 1091 B14R2.112 S=C=NC1Cc2ccccc2OC1 Amb25300089 [0,0,1,1,0,0|1,0,1]=4 1092 B14R2.1019 OCC1Cc2ccccc2C(=O)C1 Amb25241614 [0,0,1,1,0,0|2,0,0]=4 1093 B14R2.1019 OCC1Cc2ccccc2C(=O)N1 Amb20248374 [0,0,1,1,0,0|1,0,1]=4 1094 B14R2.1019 OC[C@@H]1Cc2ccccc2C(=O)C1 Amb24059966 [0,0,1,1,0,0|2,0,0]=4 1095 B14R2.1019 OC[C@H]1Cc2ccccc2C(=O)C1 Amb24059967 [0,0,1,1,0,0|2,0,0]=4 1096 B14R2.1019 OC[C@H]1Cc2ccccc2C(=O)N1 Amb24467233 [0,0,1,1,0,0|1,0,1]=4 1097 B14R2.1129 OCC1Cc2ccccc2N1C=O Amb24592125 [0,0,1,1,0,0|1,0,1]=4 1098 B14R2.2 CC(=O)OC1CCc2ccccc21 Amb24323359 [0,0,1,1,0,0|2,0,0]=4 1099 B14R2.2 NC(=N)CC1COc2ccccc21 Amb24489806 [0,0,1,1,0,0|2,0,0]=4 1100 B14R2.2 NC(=N)CN1CCc2ccccc12 Amb20667896 [0,0,1,1,0,0|2,0,0]=4 1101 B14R2.2 NC(=N)NC1CCc2ccccc21 Amb18183953 [0,0,1,1,0,0|1,0,0]=3 1102 B14R2.2 NC(=N)NN1CCc2ccccc12 Amb25088392 [0,0,1,1,0,0|2,0,0]=4 1103 B14R2.2 NC(=N)SC1CCc2ccccc21 Amb22330388 [0,0,1,1,0,0|0,1,0]=3 1104 B14R2.2 NC(=N)SC1CCc2ccccc21 Amb24113402 [0,0,1,1,0,0|0,1,0]=3 1105 B14R2.2 NC(=O)CC1CCc2c1cccc2 Amb17233113 [0,0,1,1,0,0|2,0,0]=4 1106 B14R2.2 NC(N)=NC1CCc2ccccc21 Amb24271273 [0,0,1,1,0,0|1,0,1]=4 1107 B14R2.21 NC1=NC(CCS1)c2ccccc2 Amb25774997 [0,0,1,1,0,0|0,1,0]=3 1108 B14R2.21 NC=1CCCC(N1)c2ccccc2 Amb25138745 [0,0,1,1,0,0|1,0,0]=3 1109 B14R2.21 NC=1COCC(N1)c2ccccc2 Amb25245328 [0,0,1,1,0,0|2,0,0]=4 1110 B14R2.21 NC=1NCCC(N1)c2ccccc2 Amb18127516 [0,0,1,1,0,0|1,0,0]=3 1111 B14R2.21 O=C1CC(CCO1)c2ccccc2 Amb22499444 [0,0,1,1,0,0|2,0,0]=4 1112 B14R2.21 O=C1CCC[C@@H](N1)c2ccccc2 Amb24759096 [0,0,1,1,0,0|2,0,0]=4 1113 B14R2.21 O=C1CCC[C@H](N1)c2ccccc2 Amb25131134 [0,0,1,1,0,0|2,0,0]=4 1114 B14R2.21 O=C1C[C@@H](CCO1)c2ccccc2 Amb25113432 [0,0,1,1,0,0|2,0,0]=4 1115 B14R2.21 O=C1NC(CCN1)c2ccccc2 Amb25733512 [0,0,1,1,0,0|2,0,0]=4 1116 B14R2.21 O=C1NC(CCO1)c2cc[n]cc2 Amb25795538 [0,0,1,1,0,0|2,0,0]=4 1117 B14R2.21 O=C1N[C@@H](CCN1)c2ccccc2 Amb25288289 [0,0,1,1,0,0|2,0,0]=4 1118 B14R2.21 O=C1N[C@@H](CCO1)c2ccccc2 Amb25153780 [0,0,1,1,0,0|1,0,0]=3 1119 B14R2.21 O=C1N[C@H](CCN1)c2ccccc2 Amb24441525 [0,0,1,1,0,0|2,0,0]=4 1120 B14R2.21 O=C1N[C@H](CCO1)c2cc[n]cc2 Amb25156414 [0,0,1,1,0,0|2,0,0]=4 1121 B14R2.21 O=C1N[C@H](CCO1)c2ccc[n]c2 Amb25156419 [0,0,1,1,0,0|2,0,0]=4 1122 B14R2.21 O=C1N[C@H](CCO1)c2cccc[n]2 Amb25153779 [0,0,1,1,0,0|2,0,0]=4 1123 B14R2.21 O=C1N[C@H](CCO1)c2ccccc2 Amb24427391 [0,0,1,1,0,0|1,0,0]=3 1124 B14R2.764 NC(=O)C1CC1Cc2ccccc2 Amb25802442 [0,0,1,1,0,0|2,0,0]=4 1125 B14R2.790 NC(=N)NC1CC1c2ccccc2 Amb18183949 [0,0,1,1,0,0|1,0,0]=3 1126 B14R2.790 NC(=N)N[C@@H]1C[C@H]1c2ccccc2 Amb24540902 [0,0,1,1,0,0|1,0,0]=3 1127 B14R2.790 NC(=O)NC1CC1c2ccccc2 Amb18180588 [0,0,1,1,0,0|2,0,0]=4 1128 B14R2.790 NC(=O)N[C@@H]1C[C@@H]1c2ccccc2 Amb24519168 [0,0,1,1,0,0|2,0,0]=4 1129 B14R2.790 NC(=O)N[C@@H]1C[C@H]1c2ccccc2 Amb24602073 [0,0,1,1,0,0|2,0,0]=4 1130 B14R2.790 NC(=S)NC1CC1c2ccccc2 Amb18330358 [0,0,1,1,0,0|2,0,0]=4 1131 B14R2.31137 NC(=N)NCC1Cc2ccccc21 Amb18804381 [0,0,1,1,0,0|1,0,0]=3 1132 B14R2.31137 NC(=N)SCC1Cc2ccccc21 Amb24391948 [0,0,1,1,0,0|0,1,0]=3 1133 B14R2.31137 NC(=S)NCC1Cc2ccccc21 Amb25373556 [0,0,1,1,0,0|2,0,0]=4 1134 B14R2.31359 CC(=N)N1CCCc2ccccc12 Amb25141464 [0,0,1,1,0,0|2,0,0]=4 1135 B14R2.31359 NC(=N)C1CCCc2ccccc21 Amb20667628 [0,0,1,1,0,0|1,0,0]=3 1136 B14R2.31359 NC(=N)C1CCCc2ccccc21 Amb22059226 [0,0,1,1,0,0|1,0,0]=3 1137 B14R2.31359 NC(=N)C1CCOc2ccccc21 Amb24453494 [0,0,1,1,0,0|2,0,0]=4 1138 B14R2.31359 NC(=N)C1OCCc2ccccc21 Amb23504141 [0,0,1,1,0,0|2,0,0]=4 1139 B14R2.31359 NC(=O)N1CCCc2c1cccc2 Amb1126930 [0,0,1,1,0,0|2,0,0]=4 1140 B14R2.31359 NC(=S)N1CCCc2c1cccc2 Amb1135602 [0,0,1,1,0,0|2,0,0]=4 1141 B14R2.31359 NC(=S)[C@H]1CCCc2ccccc21 Amb24655735 [0,0,1,1,0,0|2,0,0]=4 1142 B14R2.642 CC1Cc2c(N1C(=N)N)cccc2 Amb2079638 [0,0,1,1,0,0|1,0,1]=4 1143 B14R2.642 CC1Cc2c(N1C(=S)N)cccc2 Amb17116003 [0,0,1,1,0,0|0,1,1]=4 1144 B14R2.642 CC1Cc2ccccc2C1C(O)=O Amb18127734 [0,0,1,1,0,0|2,0,0]=4 1145 B14R2.642 C[C@H]1Cc2ccccc2[C@H]1C(O)=O Amb24558175 [0,0,1,1,0,0|2,0,0]=4 1146 B14R2.738 CC1Cc2ccccc2NC(=O)C1 Amb24490332 [0,0,1,1,0,0|1,0,1]=4 1147 B14R2.738 C[C@@H]1Cc2ccccc2NC(=O)C1 Amb24490233 [0,0,1,1,0,0|1,0,1]=4 1148 B14R2.768 NC(=N)NC1Cc2c(C1)cccc2 Amb1915288 [0,0,1,1,0,0|1,0,1]=4 1149 B14R2.768 NC(=N)NC1Cc2c(C1)cccc2 Amb2111947 [0,0,1,1,0,0|1,0,1]=4 1150 B14R2.768 NC(=O)OC1Cc2ccccc2C1 Amb25775009 [0,0,1,1,0,0|1,0,1]=4 1151 B14R2.4586 CC1C(C1C(O)=O)c2ccccc2 Amb24440802 [0,0,1,1,0,0|2,0,0]=4 1152 B14R2.4586 C[C@@H]1[C@@H]([C@@H]1C(O)=O)c2ccccc2 Amb25209963 [0,0,1,1,0,0|2,0,0]=4 1153 B14R2.4586 C[C@@H]1[C@H]([C@@H]1C(O)=O)c2ccccc2 Amb25274087 [0,0,1,1,0,0|2,0,0]=4 1154 B14R2.4586 C[C@H]1[C@H]([C@H]1C(O)=O)c2ccccc2 Amb24591205 [0,0,1,1,0,0|2,0,0]=4 1155 B14R2.68 NC1=NCC(CS1)c2ccccc2 Amb25060756 [0,0,1,1,0,0|0,1,0]=3 1156 B14R2.68 NC=1COC(CN1)c2ccccc2 Amb24407090 [0,0,1,1,0,0|2,0,0]=4 1157 B14R2.68 NC=1NCC(CN1)c2cc[n]cc2 Amb24670844 [0,0,1,1,0,0|2,0,0]=4 1158 B14R2.68 NC=1NCC(CN1)c2ccccc2 Amb18127515 [0,0,1,1,0,0|1,0,0]=3 1159 B14R2.95 COC(=N)C1CCc2ccccc21 Amb25345442 [0,0,1,1,0,0|1,0,1]=4 1160 B14R2.95 COC(=O)C1CCc2c1cccc2 Amb10563171 [0,0,1,1,0,0|2,0,0]=4 1161 B14R2.958 COC(=O)N1CC1c2ccccc2 Amb1039317 [0,0,1,1,0,0|1,0,1]=4 1162 B14R2.958 COC(=O)[C@@H]1C[C@H]1c2ccccc2 Amb24526297 [0,0,1,1,0,0|2,0,0]=4 1163 B14R2.35816 COC(=O)NC1Cc2ccccc21 Amb25725896 [0,0,1,1,0,0|1,0,1]=4 1164 B14R3.403 O=C1C2CC1Cc3ccccc32 Amb24532566 [0,0,0,1,1,0|2,0,0]=4 1165 B14R3.630 O=C1NC2C1Cc3ccccc32 Amb25808812 [0,0,0,1,1,0|2,0,0]=4 1166 B14R3.630 O=C1N[C@@H]2[C@H]1Cc3c2cccc3 Amb1993731 [0,0,0,1,1,0|2,0,0]=4 1167 B16R3.16 O=C1N[C@@H]2[C@H]([C@@H]2CO1)c3ccccc3 Amb24575524 [0,0,0,1,0,1|1,0,1]=4 1168 B16R3.2637 O=C1COC2C(Cc3ccccc32)N1 Amb24574029 [0,0,0,1,0,1|1,0,1]=4 1169 B16R3.335 NC1=NC2CCc3ccccc3C2O1 Amb24336485 [0,0,0,1,0,1|0,0,0]=2 1170 B16R3.335 NC1=N[C@@H]2CCc3ccccc3[C@H]2O1 Amb24655038 [0,0,0,1,0,1|0,0,0]=2 1171 B16R3.335 NC=1CC2C(CCc3ccccc32)N1 Amb24428116 [0,0,0,1,0,1|1,0,0]=3 1172 B16R3.335 O=C1NC2CCc3ccccc3C2O1 Amb25166159 [0,0,0,1,0,1|1,0,1]=4 1173 B16R3.335 O=C1N[C@H]2CCc3ccccc3[C@@H]2O1 Amb24562298 [0,0,0,1,0,1|1,0,1]=4 1174 B16R3.335 [C@@H]12CC(=O)O[C@H]1c3ccccc3CC2 Amb17778863 [0,0,0,1,0,1|2,0,0]=4 1175 B16R3.335 [C@H]12CC(=O)O[C@H]1c3ccccc3CC2 Amb17778862 [0,0,0,1,0,1|2,0,0]=4 1176 B16R3.10764 NC1=NCC2(CCc3ccccc23)O1 Amb25185696 [0,0,0,1,0,1|2,0,0]=4 1177 B16R3.18423 Nc1ccc2CC3CC(=O)OC3c2c1 Amb24666560 [0,1,0,1,0,0|2,0,0]=4 1178 B16R3.13500 O[C@@H]1[C@H]2CC(=O)O[C@H]2c3ccccc31 Amb24595883 [0,1,0,1,0,0|2,0,0]=4 1179 B16R3.13500 O[C@H]1[C@@H]2CC(=O)O[C@@H]2c3ccccc31 Amb24519788 [0,1,0,1,0,0|2,0,0]=4 1180 B16R3.17428 O=C1OCC2Cc3ccccc3CN12 Amb22643151 [0,1,0,1,0,0|1,0,1]=4 1181 B16R3.192441 NC1=NC2(CO1)Cc3ccccc3C2 Amb24605504 [0,1,0,1,0,0|0,0,0]=2 1182 B16R3.192441 NC1=NCC2(Cc3ccccc3C2)O1 Amb25274641 [0,1,0,1,0,0|2,0,0]=4 1183 B16R3.192441 NC=1NC2(CN1)Cc3ccccc3C2 Amb25697847 [0,1,0,1,0,0|1,0,1]=4 1184 B16R3.192441 O=C1NC2(CO1)Cc3ccccc3C2 Amb25193289 [0,1,0,1,0,0|1,0,1]=4 1185 B16R3.17380 NC12C(C1COC2=O)c3ccccc3 Amb25185819 [0,1,0,1,0,0|2,0,0]=4 1186 B12R1.3 C\C=C\C(CO)c1ccccc1 Amb24431887 [0,0,1,0,1,0|2,0,0]=4 1187 B12R1.3 C\C=N\C(CO)c1ccccc1 Amb25038797 [0,0,1,0,1,0|1,0,0]=3 1188 B12R1.3 C\C=N\[C@@H](CO)c1ccccc1 Amb25236547 [0,0,1,0,1,0|1,0,0]=3 1189 B12R1.3 OC[C@@H](N=C=O)c1ccccc1 Amb25137163 [0,0,1,0,1,0|1,0,1]=4 1190 B12R1.3 OC[C@H](c1ccccc1)NC=O Amb16203101 [0,0,1,0,1,0|1,0,1]=4 1191 B12R1.3 [N-]=[N+]=NC(CO)c1ccccc1 Amb25806192 [0,0,1,0,1,0|1,0,1]=4 1192 B12R1.3 [N-]=[N+]=N[C@@H](CO)c1ccccc1 Amb25772941 [0,0,1,0,1,0|1,0,1]=4 1193 B12R1.43 Br[C@@H](C(=O)O)Cc1ccccc1 Amb17610062 [0,0,1,0,1,0|2,0,0]=4 1194 B12R1.43 Br[C@H](C(=O)O)Cc1ccccc1 Amb17610063 [0,0,1,0,1,0|2,0,0]=4 1195 B12R1.43 CC(=O)[C@@H](C)Cc1ccccc1 Amb24356281 [0,0,1,0,1,0|1,0,1]=4 1196 B12R1.43 CC(=O)[C@H](C)Cc1ccccc1 Amb25233687 [0,0,1,0,1,0|1,0,1]=4 1197 B12R1.43 CC(C(=O)C)Cc1ccccc1 Amb17232407 [0,0,1,0,1,0|1,0,1]=4 1198 B12R1.43 CC(C(=O)N)Sc1ccccc1 Amb10665761 [0,0,1,0,1,0|1,0,1]=4 1199 B12R1.43 CC(C(=O)O)Nc1ccccc1 Amb1213440 [0,0,1,0,1,0|2,0,0]=4 1200 B12R1.43 CC(C(=O)O)Sc1ccccc1 Amb1215286 [0,0,1,0,1,0|2,0,0]=4 1201 B12R1.43 CC(C(=S)N)Oc1ccccc1 Amb17233851 [0,0,1,0,1,0|1,1,0]=4 1202 B12R1.43 CC(C(N)C)Cc1ccccc1 Amb17232438 [0,0,1,0,1,0|1,0,1]=4 1203 B12R1.43 CC(C(O)C)Cc1ccccc1 Amb17232485 [0,0,1,0,1,0|1,0,1]=4 1204 B12R1.43 CC(Oc1ccccc1)C(N)=N Amb18798297 [0,0,1,0,1,0|2,0,0]=4 1205 B12R1.43 CC(Pc1ccccc1)C(O)=O Amb25059181 [0,0,1,0,1,0|2,0,0]=4 1206 B12R1.43 CC(Sc1ccccc1)C(N)=N Amb18805146 [0,0,1,0,1,0|2,0,0]=4 1207 B12R1.43 CN(Cc1ccccc1)C(N)=N Amb22586446 [0,0,1,0,1,0|2,0,0]=4 1208 B12R1.43 C[C@@H](C(=O)O)Cc1ccccc1 Amb10844541 [0,0,1,0,1,0|1,0,0]=3 1209 B12R1.43 C[C@@H](Cc1ccccc1)C(C)O Amb25769503 [0,0,1,0,1,0|1,0,1]=4 1210 B12R1.43 C[C@@H](Cc1ccccc1)C(N)=O Amb24651128 [0,0,1,0,1,0|0,0,1]=3 1211 B12R1.43 C[C@@H](Cc1ccccc1)[C@@H](C)O Amb25795494 [0,0,1,0,1,0|1,0,1]=4 1212 B12R1.43 C[C@@H](Nc1ccccc1)C(O)=O Amb22801823 [0,0,1,0,1,0|2,0,0]=4 1213 B12R1.43 C[C@@H](Oc1ccccc1)C(O)=O Amb22736710 [0,0,1,0,1,0|2,0,0]=4 1214 B12R1.43 C[C@H](C(=O)O)Cc1ccccc1 Amb10844540 [0,0,1,0,1,0|1,0,0]=3 1215 B12R1.43 C[C@H](Cc1ccccc1)[C@@H](C)O Amb25157972 [0,0,1,0,1,0|1,0,1]=4 1216 B12R1.43 C[C@H](Cc1ccccc1)[C@H](C)O Amb25769397 [0,0,1,0,1,0|1,0,1]=4 1217 B12R1.43 C[C@H](Nc1ccccc1)C(O)=O Amb24434019 [0,0,1,0,1,0|2,0,0]=4 1218 B12R1.43 C[C@H](Oc1ccccc1)C(O)=O Amb22736711 [0,0,1,0,1,0|2,0,0]=4 1219 B12R1.43 C[C@H](Sc1ccccc1)C(O)=O Amb24390829 [0,0,1,0,1,0|2,0,0]=4 1220 B12R1.43 ClC(C(=O)N)Cc1ccccc1 Amb17204334 [0,0,1,0,1,0|1,0,1]=4 1221 B12R1.43 ClC(C(=O)O)Cc1ccccc1 Amb17204339 [0,0,1,0,1,0|2,0,0]=4 1222 B12R1.43 NC(=O)C(Br)Cc1ccccc1 Amb23533327 [0,0,1,0,1,0|1,0,1]=4 1223 B12R1.43 NC(=O)C(F)Cc1ccccc1 Amb24343162 [0,0,1,0,1,0|1,0,1]=4 1224 B12R1.43 NC(=O)C(N)Cc1ccccc1 Amb20240621 [0,0,1,0,1,0|1,0,1]=4 1225 B12R1.43 NC(=O)C(O)Cc1ccccc1 Amb18800896 [0,0,1,0,1,0|1,0,1]=4 1226 B12R1.43 NC(=O)[C@@H](Cl)Cc1ccccc1 Amb25034612 [0,0,1,0,1,0|1,0,1]=4 1227 B12R1.43 NC(=O)[C@H](O)Cc1ccccc1 Amb25359872 [0,0,1,0,1,0|1,0,1]=4 1228 B12R1.43 NC(=S)C(N)Cc1ccccc1 Amb25765717 [0,0,1,0,1,0|1,1,0]=4 1229 B12R1.43 NC(=S)[C@H](O)Cc1ccccc1 Amb24419006 [0,0,1,0,1,0|1,1,0]=4 1230 B12R1.43 NC(C[13c]1[13cH][13cH][13cH][13cH][13cH]1)C(O)=O Amb22367486 [0,0,1,0,1,0|2,0,0]=4 1231 B12R1.43 NC(Cc1ccccc1)C(O)=O Amb19958284 [0,0,1,0,1,0|2,0,0]=4 1232 B12R1.43 NC(Cc1ccccc1)[13C](O)=O Amb22363196 [0,0,1,0,1,0|2,0,0]=4 1233 B12R1.43 NC([13CH2]c1ccccc1)C(O)=O Amb22363309 [0,0,1,0,1,0|2,0,0]=4 1234 B12R1.43 N[13C@@H](Cc1ccccc1)C(O)=O Amb22351319 [0,0,1,0,1,0|2,0,0]=4 1235 B12R1.43 N[13CH](Cc1ccccc1)C(O)=O Amb22367538 [0,0,1,0,1,0|2,0,0]=4 1236 B12R1.43 N[14CH]([14CH2]c1ccccc1)[14C](O)=O Amb22352760 [0,0,1,0,1,0|2,0,0]=4 1237 B12R1.43 N[C@@H](C(=O)N)Cc1ccccc1 Amb16183950 [0,0,1,0,1,0|1,0,1]=4 1238 B12R1.43 N[C@@H](C[13c]1[13cH][13cH][13cH][13cH][13cH]1)C(O)=O Amb22353689 [0,0,1,0,1,0|2,0,0]=4 1239 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O Amb22351110 [0,0,1,0,1,0|2,0,0]=4 1240 B12R1.43 OC(=O)C(Cc1ccccc1)Br Amb16210937 [0,0,1,0,1,0|2,0,0]=4 1241 B12R1.43 OC(=O)C(S)Cc1ccccc1 Amb18289035 [0,0,1,0,1,0|2,0,0]=4 1242 B12R1.43 OC(=O)[C@@H](Cl)Cc1ccccc1 Amb24707843 [0,0,1,0,1,0|2,0,0]=4 1243 B12R1.43 OC(=O)[C@@H](S)Cc1ccccc1 Amb25124079 [0,0,1,0,1,0|2,0,0]=4 1244 B12R1.43 OC(=O)[C@H](Cl)Cc1ccccc1 Amb22225171 [0,0,1,0,1,0|2,0,0]=4 1245 B12R1.43 OC(=O)[C@H](F)Cc1ccccc1 Amb25061394 [0,0,1,0,1,0|2,0,0]=4 1246 B12R1.43 OC(=S)C(I)Cc1ccccc1 Amb24061263 [0,0,1,0,1,0|2,0,0]=4 1247 B12R1.43 [15NH2]C(Cc1ccccc1)C(O)=O Amb22338047 [0,0,1,0,1,0|2,0,0]=4 1248 B12R1.107 CC(CC(N)=S)c1ccccc1 Amb24583414 [0,0,1,0,1,0|1,1,0]=4 1249 B12R1.107 CC(NC(N)=N)c1ccccc1 Amb22284229 [0,0,1,0,1,0|1,0,1]=4 1250 B12R1.107 CC(c1ccccc1)CC(=O)O Amb1207393 [0,0,1,0,1,0|2,0,0]=4 1251 B12R1.107 CC(c1ccccc1)NC(=N)N Amb10669498 [0,0,1,0,1,0|1,0,1]=4 1252 B12R1.107 CC(c1ccccc1)NC(=O)N Amb1135151 [0,0,1,0,1,0|0,0,2]=4 1253 B12R1.107 CC(c1ccccc1)NC(=S)N Amb1645582 [0,0,1,0,1,0|0,1,1]=4 1254 B12R1.107 CS(=NC(N)=O)c1ccccc1 Amb24370272 [0,0,1,0,1,0|1,0,1]=4 1255 B12R1.107 C[C@@H](NC(N)=O)c1ccccc1 Amb22232053 [0,0,1,0,1,0|0,0,2]=4 1256 B12R1.107 C[C@@H](SC(N)=N)c1ccccc1 Amb25807975 [0,0,1,0,1,0|2,0,0]=4 1257 B12R1.107 C[C@@H](c1ccccc1)CC(=O)O Amb10844340 [0,0,1,0,1,0|2,0,0]=4 1258 B12R1.107 C[C@H](NC(N)=O)c1ccccc1 Amb22232024 [0,0,1,0,1,0|0,0,2]=4 1259 B12R1.107 C[C@H](c1ccccc1)CC(=O)O Amb10844379 [0,0,1,0,1,0|2,0,0]=4 1260 B12R1.27 COC(=N)CCc1cc[n]cc1 Amb18563635 [0,0,1,0,1,0|1,0,1]=4 1261 B12R1.27 COC(=N)CCc1ccc[n]c1 Amb18563630 [0,0,1,0,1,0|1,0,1]=4 1262 B12R1.27 COC(=N)CCc1cccc[n]1 Amb18563625 [0,0,1,0,1,0|1,0,1]=4 1263 B12R1.27 COC(=N)CNc1ccccc1 Amb24597022 [0,0,1,0,1,0|1,0,1]=4 1264 B12R1.27 COC(=N)COc1ccccc1 Amb18798404 [0,0,1,0,1,0|1,0,1]=4 1265 B12R1.27 COC(=O)CCc1ccncc1 Amb10604945 [0,0,1,0,1,0|2,0,0]=4 1266 B12R1.27 COC(=O)OCc1ccccc1 Amb25034726 [0,0,1,0,1,0|2,0,0]=4 1267 B12R1.27 COC(=O)\N=N\c1ccccc1 Amb25836861 [0,0,1,0,1,0|2,0,0]=4 1268 B12R1.27 C\N=C(\SCc1ccccc1)/N Amb11238902 [0,0,1,0,1,0|2,0,0]=4 1269 B12R1.27 N\C(\CCc1ccccc1)=N\N Amb18788201 [0,0,1,0,1,0|2,0,0]=4 1270 B12R1.27 N\C(\CCc1ccccc1)=N\O Amb22053006 [0,0,1,0,1,0|2,0,0]=4 1271 B12R1.27 O\N=C(\CCc1ccccc1)/N Amb1115853 [0,0,1,0,1,0|2,0,0]=4 1272 B12R2.2 C1=NC(CC1)c2cccnc2 Amb17616205 [1,0,0,0,1,0|2,0,0]=4 1273 B12R2.2 C1C=COC1c2ccccc2 Amb24081226 [1,0,0,0,1,0|2,0,0]=4 1274 B12R2.2 C1C=NC(N1)c2ccccc2 Amb25145901 [1,0,0,0,1,0|2,0,0]=4 1275 B12R2.2 C1C=NC(S1)c2ccccc2 Amb25375170 [1,0,0,0,1,0|2,0,0]=4 1276 B12R2.2 C1NC(CO1)c2ccccc2 Amb25258799 [1,0,0,0,1,0|0,0,2]=4 1277 B12R2.2 C1OC=NC1c2ccccc2 Amb20247138 [1,0,0,0,1,0|0,0,0]=2 1278 B12R2.2 C1OC=NN1c2c[n]ccc2 Amb24085088 [1,0,0,0,1,0|2,0,0]=4 1279 B12R2.2 C1OCCC1c2ccccc2 Amb21960825 [1,0,0,0,1,0|1,0,1]=4 1280 B12R2.2 C1OCOC1c2ccccc2 Amb24101078 [1,0,0,0,1,0|1,0,1]=4 1281 B12R2.2 c1ccc(cc1)c2cocn2 Amb17399894 [1,0,0,0,1,0|0,0,2]=4 1282 B12R2.2058 B1CC(C1)Cc2ccccc2 Amb25243383 [1,0,0,0,1,0|1,0,1]=4 1283 B12R2.2058 C(C1CCN1)c2ccccc2 Amb20623701 [1,0,0,0,1,0|0,0,2]=4 1284 B12R2.2058 C1N=CN1Cc2ccccc2 Amb25709568 [1,0,0,0,1,0|2,0,0]=4 1285 B12R2.2058 C1NCC1Cc2ccccc2 Amb19373673 [1,0,0,0,1,0|1,0,1]=4 1286 B12R2.2058 C1OCC1Nc2ccccc2 Amb22737358 [1,0,0,0,1,0|1,0,1]=4 1287 B12R2.2058 C1OCC1Sc2ccccc2 Amb25145934 [1,0,0,0,1,0|1,0,1]=4 1288 B12R2.2058 N1CC(C1)Cc2ccccc2 Amb1123190 [1,0,0,0,1,0|1,0,1]=4 1289 B12R2.6 NC1=NC(CO1)c2[n]cc[s]2 Amb24593317 [0,0,0,0,2,0|2,0,0]=4 1290 B12R2.6 NC1=NC(CO1)c2c[n]c[s]2 Amb24488073 [0,0,0,0,2,0|2,0,0]=4 1291 B12R2.6 NC1=NC(CO1)c2ccc[s]2 Amb24585657 [0,0,0,0,2,0|1,0,0]=3 1292 B12R2.22 NC1CC(C1)c2ccccc2 Amb19514746 [0,0,0,0,2,0|1,0,1]=4 1293 B12R2.22 N[C@@H]1C[C@@H](C1)c2ccccc2 Amb23439754 [0,0,0,0,2,0|1,0,1]=4 1294 B12R2.22 N[C@@H]1C[C@H](C1)c2ccccc2 Amb23439755 [0,0,0,0,2,0|1,0,1]=4 1295 B12R2.22 O=C1CC(N1)c2ccccc2 Amb1993905 [0,0,0,0,2,0|1,0,1]=4 1296 B12R2.22 O=C1C[C@@H](N1)c2ccccc2 Amb24598586 [0,0,0,0,2,0|1,0,1]=4 1297 B12R2.23 NC1CCC1c2ccccc2 Amb19335290 [0,0,0,0,2,0|1,0,1]=4 1298 B12R2.23 NC1CCC1c2ccccc2 Amb24120632 [0,0,0,0,2,0|1,0,1]=4 1299 B12R2.23 N[C@@H]1CC[C@H]1c2ccccc2 Amb25174969 [0,0,0,0,2,0|1,0,1]=4 1300 B12R2.23 O=C1CCC1c2ccccc2 Amb19515483 [0,0,0,0,2,0|2,0,0]=4 1301 B12R2.11 Br[C@@H]1C[C@@H]1Cc2ccccc2 Amb25280103 [0,0,0,0,2,0|1,0,1]=4 1302 B12R2.11 NC1CC1Cc2ccccc2 Amb18960797 [0,0,0,0,2,0|0,0,1]=3 1303 B12R2.11 NC1CC1Cc2ccccc2 Amb19375025 [0,0,0,0,2,0|0,0,1]=3 1304 B12R2.11 NC1CC1Oc2ccccc2 Amb24761155 [0,0,0,0,2,0|1,0,1]=4 1305 B12R2.11 OC1CC1Cc2ccccc2 Amb25145316 [0,0,0,0,2,0|1,0,1]=4 1306 B12R2.11 O[C@H]1C[C@@H]1Cc2ccccc2 Amb25326057 [0,0,0,0,2,0|1,0,1]=4 1307 B14R1.979 C=CC[C@H](CO)OCc1ccccc1 Amb25723021 [0,0,1,0,0,1|2,0,0]=4 1308 B14R1.979 C\C=C\C(CO)OCc1ccccc1 Amb25120071 [0,0,1,0,0,1|2,0,0]=4 1309 B14R1.979 NCCC(CO)OCc1ccccc1 Amb25324590 [0,0,1,0,0,1|1,0,1]=4 1310 B14R1.979 OC[C@H](CC=O)OCc1ccccc1 Amb25768392 [0,0,1,0,0,1|2,0,0]=4 1311 B14R1.422 CC(=O)OCCCOc1ccccc1 Amb24046251 [0,0,1,0,0,1|2,0,0]=4 1312 B14R1.422 CC(=O)OCCNCc1ccccc1 Amb18929298 [0,0,1,0,0,1|2,0,0]=4 1313 B14R1.422 ClC(=O)OCCOCc1ccccc1 Amb10844670 [0,0,1,0,0,1|2,0,0]=4 1314 B14R1.422 NC(=N)NCCNCc1ccccc1 Amb24415456 [0,0,1,0,0,1|1,0,0]=3 1315 B14R1.422 NC(=N)NNCCCc1ccccc1 Amb24064219 [0,0,1,0,0,1|1,0,0]=3 1316 B14R1.422 NC(=N)NNCCOc1ccccc1 Amb10553765 [0,0,1,0,0,1|2,0,0]=4 1317 B14R1.422 NC(=N)SCCCOc1ccccc1 Amb20675993 [0,0,1,0,0,1|0,1,0]=3 1318 B14R1.422 NC(=N)SCCOCc1ccccc1 Amb24377364 [0,0,1,0,0,1|0,1,0]=3 1319 B14R1.422 NC(=O)CCCNCc1ccccc1 Amb19050609 [0,0,1,0,0,1|2,0,0]=4 1320 B14R1.422 NC(=O)CCCOCc1ccccc1 Amb25073445 [0,0,1,0,0,1|2,0,0]=4 1321 B14R1.422 NC(=O)CCNCCc1ccccc1 Amb22587630 [0,0,1,0,0,1|2,0,0]=4 1322 B14R1.422 NC(=O)NCCNCc1ccccc1 Amb18651583 [0,0,1,0,0,1|2,0,0]=4 1323 B14R1.422 NC(=O)NCCOCc1ccccc1 Amb25059842 [0,0,1,0,0,1|2,0,0]=4 1324 B14R1.422 NC(=S)NCCOCc1ccccc1 Amb24359957 [0,0,1,0,0,1|2,0,0]=4 1325 B14R2.101 C(NC1CCC=C1)c2ccccc2 Amb24441666 [1,0,0,0,0,1|2,0,0]=4 1326 B14R2.101 C(NC1COCC1)c2ccccc2 Amb22490250 [1,0,0,0,0,1|1,0,1]=4 1327 B14R2.101 C(N[C@@H]1COCC1)c2ccccc2 Amb24553100 [1,0,0,0,0,1|1,0,1]=4 1328 B14R2.101 C(N[C@H]1CCC=C1)c2ccccc2 Amb25775023 [1,0,0,0,0,1|2,0,0]=4 1329 B14R2.101 C(N[C@H]1COCC1)c2ccccc2 Amb24741285 [1,0,0,0,0,1|1,0,1]=4 1330 B14R2.101 C(OC1CC=CC1)c2ccccc2 Amb25786312 [1,0,0,0,0,1|2,0,0]=4 1331 B14R2.101 C(Oc1ccccc1)c2[n]oc[n]2 Amb24513802 [1,0,0,0,0,1|1,0,1]=4 1332 B14R2.101 C(Sc1ccccc1)c2[n]oc[n]2 Amb25235955 [1,0,0,0,0,1|1,0,1]=4 1333 B14R2.101 C1N=CNC1CSc2ccccc2 Amb25046746 [1,0,0,0,0,1|1,0,1]=4 1334 B14R2.101 C1OCCC1COc2ccccc2 Amb24605530 [1,0,0,0,0,1|1,0,1]=4 1335 B16R2.2832 O=C1N[C@H](CO1)COCc2ccccc2 Amb25103672 [0,0,0,0,0,2|1,0,1]=4 1336 B16R2.2832 O=C1OCC(O1)COCc2ccccc2 Amb10071643 [0,0,0,0,0,2|2,0,0]=4