0 B16R3.5988 C1C(N=C2NCCN21)c3ccccc3 Amb24347860 [0,0,0,0,0,0|1,0,0]=1 1 B16R3.5988 C1C(N=C2SC=CN21)c3ccccc3 Amb25731959 [0,0,0,0,0,0|0,0,2]=2 2 B16R3.5988 C1C(NC2CCCN21)c3ccccc3 Amb25321911 [0,0,0,0,0,0|1,0,2]=3 3 B16R3.5988 C1C(NC2SCNN21)c3ccccc3 Amb24336453 [0,0,0,0,0,0|1,0,2]=3 4 B16R3.5988 C1C(N[C@@H]2CCCN21)c3ccccc3 Amb25686056 [0,0,0,0,0,0|1,0,2]=3 5 B16R3.5988 C1CC[n]2cc([n]c21)-c3cc[n]cc3 Amb24071431 [0,0,0,0,0,0|2,0,2]=4 6 B16R3.5988 C1CCc2[n][n](cc21)-c3ccccc3 Amb25170762 [0,0,0,0,0,0|3,0,1]=4 7 B16R3.5988 C1CCc2[n]c([s]c21)-c3ccccc3 Amb24658116 [0,0,0,0,0,0|3,0,1]=4 8 B16R3.5988 C1CN2C(=NC(C2)c3ccccc3)S1 Amb10843756 [0,0,0,0,0,0|0,0,0]=0 9 B16R3.5988 C1CNc2cc([n][n]21)-c3ccccc3 Amb25676743 [0,0,0,0,0,0|3,0,1]=4 10 B16R3.5988 C1CSc2[n]c(c[n]21)-c3cccc[n]3 Amb24400414 [0,0,0,0,0,0|1,0,2]=3 11 B16R3.5988 C1Sc2n(C1)cc(n2)c3ccccc3 Amb1000851 [0,0,0,0,0,0|0,0,2]=2 12 B16R3.5988 c1c([n]c2[s]cc[n]21)-c3ccccc3 Amb22447069 [0,0,0,0,0,0|0,0,4]=4 13 B16R3.5988 c1ccc(cc1)c2cn3c(n2)scc3 Amb1144848 [0,0,0,0,0,0|0,0,4]=4 14 B16R3.5988 c1ccc(cc1)c2cn3c(n2)scn3 Amb1147404 [0,0,0,0,0,0|1,0,3]=4 15 B16R3.5988 c1ccc(cc1)c2nc3c(s2)CCN3 Amb17237514 [0,0,0,0,0,0|3,0,1]=4 16 B16R3.5988 c1ccccc1-c2[n]c3[s]cc[n]3[n]2 Amb19372089 [0,0,0,0,0,0|1,0,3]=4 17 B16R3.5988 n1ccc(cc1)c2nn3c(n2)CCC3 Amb2584692 [0,0,0,0,0,0|3,0,1]=4 18 B17R3.1855 Brc1c([n]c2SCC[n]21)-c3c[n]ccc3 Amb22489322 [0,1,0,0,0,0|1,0,2]=4 19 B17R3.1855 Brc1c([n]c2SCC[n]21)-c3cc[n]cc3 Amb22489323 [0,1,0,0,0,0|1,0,2]=4 20 B17R3.1855 Brc1c([n]c2SCC[n]21)-c3ccccc3 Amb22447785 [0,1,0,0,0,0|0,0,2]=3 21 B17R3.3269 CN1CCN2CC(N=C21)c3ccccc3 Amb24088986 [0,1,0,0,0,0|1,0,0]=2 22 B17R3.5223 CC1CN2CC(N=C2S1)c3cccc[n]3 Amb23078713 [0,1,0,0,0,0|1,0,0]=2 23 B17R3.17867 Brc1ccc(cc1)C2CN3C(=N2)SCC3 Amb16226883 [0,1,0,0,0,0|0,0,0]=1 24 B17R3.17867 Brc1ccc(cc1)[C@@H]2CN3C(=N2)SCC3 Amb15691683 [0,1,0,0,0,0|0,0,0]=1 25 B17R3.17867 Brc1ccc(cc1)c2cn3c(n2)CCC3 Amb2502794 [0,1,0,0,0,0|1,0,2]=4 26 B17R3.17867 Brc1ccc(cc1)c2cn3c(n2)SCC3 Amb1153182 [0,1,0,0,0,0|0,0,2]=3 27 B17R3.17867 Cc1ccc(cc1)C2CN3C=CSC3=N2 Amb24086086 [0,1,0,0,0,0|0,0,2]=3 28 B17R3.17867 Cc1ccc(cc1)c2cn3c(n2)CCC3 Amb1349031 [0,1,0,0,0,0|1,0,2]=4 29 B17R3.17867 Cc1ccc(cc1)c2cn3c(n2)SCC3 Amb2502568 [0,1,0,0,0,0|0,0,2]=3 30 B17R3.17867 Clc1ccc(cc1)C2CN3CCSC3=N2 Amb24086063 [0,1,0,0,0,0|0,0,0]=1 31 B17R3.17867 Clc1ccc(cc1)c2cn3c(n2)SCC3 Amb1264818 [0,1,0,0,0,0|0,0,2]=3 32 B17R3.17867 Nc1ccc(cc1)[C@@H]2CN3CCSC3=N2 Amb19130457 [0,1,0,0,0,0|0,0,0]=1 33 B17R3.17867 Oc1ccc(cc1)[C@@H]2CN3CCSC3=N2 Amb19132633 [0,1,0,0,0,0|0,0,0]=1 34 B17R3.17867 Oc1ccc(cc1)c2cn3c(n2)CCC3 Amb140040 [0,1,0,0,0,0|1,0,2]=4 35 B17R3.17867 Oc1ccc(cc1)c2cn3c(n2)SCC3 Amb1035432 [0,1,0,0,0,0|0,0,2]=3 36 B17R3.17867 Oc1ccc(cc1)c2cn3c(n2)SCC3 Amb11093 [0,1,0,0,0,0|0,0,2]=3 37 B17R3.18290 Nc1cc(ccc1)C2CN3C=CSC3=N2 Amb22749485 [0,1,0,0,0,0|0,0,2]=3 38 B17R3.27352 Oc1ccccc1[C@@H]2CN3CCSC3=N2 Amb19132634 [0,1,0,0,0,0|0,0,0]=1 39 B15R2.55 CN/1CCN\C1=N/Nc2ccccc2 Amb25275496 [0,0,1,0,0,0|2,0,0]=3 40 B15R2.55 CN1CCN=C1SCc2cccc[n]2 Amb24105830 [0,0,1,0,0,0|3,0,0]=4 41 B15R2.55 N=C1CCCN1CCc2cc[n]cc2 Amb19060618 [0,0,1,0,0,0|2,0,0]=3 42 B15R2.55 N=C1CCCN1CCc2ccc[n]c2 Amb19060610 [0,0,1,0,0,0|2,0,0]=3 43 B15R2.55 N=C1CCCN1OCc2ccccc2 Amb25772090 [0,0,1,0,0,0|2,0,0]=3 44 B15R2.55 O=C1CCCN1CCc2ccccn2 Amb1061607 [0,0,1,0,0,0|3,0,0]=4 45 B15R2.55 O=C1NCCC1CCc2ccccc2 Amb25227286 [0,0,1,0,0,0|3,0,0]=4 46 B15R2.55 O=C1NCCN1CCc2cccc[n]2 Amb25849804 [0,0,1,0,0,0|3,0,0]=4 47 B15R2.55 S=C1SCCN1CCc2cc[n]cc2 Amb22474121 [0,0,1,0,0,0|2,0,0]=3 48 B15R2.66 BrCCN1CC(CC1)c2ccccc2 Amb24335613 [0,0,1,0,0,0|2,0,1]=4 49 B15R2.66 CCNc1[nH][n]c([n]1)-c2ccccc2 Amb22464535 [0,0,1,0,0,0|2,0,1]=4 50 B15R2.66 CCSc1[nH]cc([n]1)-c2ccccc2 Amb25725949 [0,0,1,0,0,0|0,0,2]=3 51 B15R2.66 CCSc1[n][n](c[n]1)-c2ccccc2 Amb19340880 [0,0,1,0,0,0|1,0,2]=4 52 B15R2.66 NCCC1=NC(CO1)c2ccccc2 Amb24578668 [0,0,1,0,0,0|3,0,0]=4 53 B15R2.66 NCC[n]1c[n]c([n]1)-c2ccccc2 Amb18564502 [0,0,1,0,0,0|2,0,1]=4 54 B15R2.66 NCC[n]1c[n]c(c1)-c2ccccc2 Amb18564437 [0,0,1,0,0,0|1,0,2]=4 55 B15R2.66 OCCN1CC(CC1)c2ccccc2 Amb19050280 [0,0,1,0,0,0|1,1,1]=4 56 B15R2.66 SCC[n]1[n][n]c([n]1)-c2ccccc2 Amb24412005 [0,0,1,0,0,0|2,0,1]=4 57 B15R2.1259 CC(NC=1NCCN1)c2cc[n]cc2 Amb24355723 [0,0,1,0,0,0|2,0,1]=4 58 B15R2.1259 CC(NC=1NCCN1)c2ccc[n]c2 Amb25110807 [0,0,1,0,0,0|2,0,1]=4 59 B15R2.1259 CC(NC=1NCCN1)c2cccc[n]2 Amb19309717 [0,0,1,0,0,0|2,0,1]=4 60 B15R2.1259 CC(NC=1NCCN1)c2ccccc2 Amb25269345 [0,0,1,0,0,0|1,0,1]=3 61 B15R2.1259 CC(SC=1NCCN1)c2cccc[n]2 Amb24336502 [0,0,1,0,0,0|3,0,0]=4 62 B15R2.1259 CC(SC=1NCCN1)c2ccccc2 Amb24700326 [0,0,1,0,0,0|2,0,0]=3 63 B15R2.1259 CC(c1ccccc1)NC2=NCCS2 Amb1104078 [0,0,1,0,0,0|0,0,2]=3 64 B15R2.1259 CN(NC=1NCCN1)c2ccccc2 Amb25856897 [0,0,1,0,0,0|2,0,1]=4 65 B15R2.1259 C[C@@H](NC1=NCCO1)c2ccccc2 Amb25315213 [0,0,1,0,0,0|0,1,2]=4 66 B15R2.1259 C[C@@H](NC1=NCCS1)c2ccccc2 Amb25815689 [0,0,1,0,0,0|0,0,2]=3 67 B15R2.1259 C[C@@H](NC=1NCCN1)c2cc[n]cc2 Amb24662669 [0,0,1,0,0,0|2,0,1]=4 68 B15R2.1259 C[C@@H](NC=1NCCN1)c2ccc[n]c2 Amb24723389 [0,0,1,0,0,0|2,0,1]=4 69 B15R2.1259 C[C@@H](NC=1NCCN1)c2cccc[n]2 Amb24506659 [0,0,1,0,0,0|2,0,1]=4 70 B15R2.1259 C[C@@H](NC=1NCCN1)c2ccccc2 Amb24348649 [0,0,1,0,0,0|1,0,1]=3 71 B15R2.1259 C[C@H](NC=1CCCN1)c2ccccc2 Amb25336109 [0,0,1,0,0,0|1,0,2]=4 72 B15R2.1259 C[C@H](NC=1NCCN1)c2cc[n]cc2 Amb25768101 [0,0,1,0,0,0|2,0,1]=4 73 B15R2.1259 C[C@H](NC=1NCCN1)c2ccccc2 Amb24506793 [0,0,1,0,0,0|1,0,1]=3 74 B15R2.1259 ClC(CC1CCC=C1)c2ccccc2 Amb24759088 [0,0,1,0,0,0|3,0,0]=4 75 B15R2.1259 ClC(c1ccccc1)CN2CCCC2 Amb17546769 [0,0,1,0,0,0|2,0,1]=4 76 B15R2.1259 NC(CC=1CCCC1)c2ccccc2 Amb24643014 [0,0,1,0,0,0|2,0,1]=4 77 B15R2.1259 NC(c1ccccc1)CN2CCCC2 Amb10070298 [0,0,1,0,0,0|1,0,2]=4 78 B15R2.1259 NC(c1ccccc1)CN2CCCC2 Amb1126929 [0,0,1,0,0,0|1,0,2]=4 79 B15R2.1259 N[C@H](CN1CCCC1)c2ccccc2 Amb25182989 [0,0,1,0,0,0|1,0,2]=4 80 B15R2.1259 O=C(\C=C\1/NCCS1)c2ccccc2 Amb24311851 [0,0,1,0,0,0|2,0,1]=4 81 B15R2.1259 O[C@@H](CN1CCCC1)c2ccccc2 Amb25193121 [0,0,1,0,0,0|2,0,1]=4 82 B15R2.2248 CC[n]1[n]c([n]c1N)-c2ccccc2 Amb25064769 [0,0,1,0,0,0|2,0,1]=4 83 B15R2.2248 CSc1[n]c([n][n]1C)-c2ccccc2 Amb24064833 [0,0,1,0,0,0|1,0,1]=3 84 B15R2.2248 NCN1CC(CC1=O)c2ccccc2 Amb24470117 [0,0,1,0,0,0|2,1,0]=4 85 B15R2.2248 OCN1CC(OC1=O)c2ccccc2 Amb24403885 [0,0,1,0,0,0|2,1,0]=4 86 B15R3.4166 C1C(N=C2SC=CN21)c3ccc[s]3 Amb25312097 [0,0,0,0,1,0|1,0,2]=4 87 B15R3.4166 C1C[n]2cc([n]c2S1)-c3c[s]cc3 Amb24473161 [0,0,0,0,1,0|1,0,2]=4 88 B15R3.4166 c1csc(c1)c2cn3c(n2)SCC3 Amb1583093 [0,0,0,0,1,0|1,0,2]=4 89 B17R3.1941 c1ccc(cc1)C2NCC3N(C2)CCC3 Amb17578976 [0,0,0,0,0,1|1,0,2]=4 90 B17R3.8708 C1NCC[n]2cc([n]c21)-c3ccccc3 Amb19037656 [0,0,0,0,0,1|1,0,2]=4 91 B17R3.8708 C1NCC[n]2cc([n]c21)-c3ccccc3 Amb22491876 [0,0,0,0,0,1|1,0,2]=4 92 B17R3.8708 c1ccc(cc1)c2nc3n(c2)CCCC3 Amb17337327 [0,0,0,0,0,1|1,0,2]=4 93 B14R2.101 C(CC1=NCCS1)c2ccccc2 Amb25762073 [1,0,1,0,0,0|1,0,1]=4 94 B14R2.101 C(CC=1NCCN1)c2ccccc2 Amb18065541 [1,0,1,0,0,0|2,0,0]=4 95 B14R2.101 C(CN1CCCC1)c2ccccc2 Amb24064864 [1,0,1,0,0,0|1,0,1]=4 96 B14R2.101 C(SC1NCCS1)c2ccccc2 Amb25090882 [1,0,1,0,0,0|1,0,1]=4 97 B14R2.101 C(\N=C/1\CCCO1)c2ccccc2 Amb24452625 [1,0,1,0,0,0|1,1,0]=4 98 B14R2.101 C(\N=C\1/CCCN1)c2cc[n]cc2 Amb19200234 [1,0,1,0,0,0|2,0,0]=4 99 B14R2.101 C(\N=C\1/CCCN1)c2ccc[n]c2 Amb19200236 [1,0,1,0,0,0|2,0,0]=4 100 B14R2.101 C(\N=C\1/CCCN1)c2cccc[n]2 Amb19200232 [1,0,1,0,0,0|2,0,0]=4 101 B14R2.101 C1CCN(C1)CCc2ccccc2 Amb10555331 [1,0,1,0,0,0|1,0,1]=4 102 B14R2.101 C1CSC(CCc2ccccc2)N1 Amb18317778 [1,0,1,0,0,0|1,0,1]=4 103 B14R2.101 C1CSC(N1)=NNc2cccc[n]2 Amb22460674 [1,0,1,0,0,0|2,0,0]=4 104 B14R2.101 C1CS\C(\N1)=N\Nc2ccccc2 Amb25079632 [1,0,1,0,0,0|1,0,0]=3 105 B14R2.101 c1ccc(cc1)CNC2=NCCN2 Amb15746508 [1,0,1,0,0,0|1,0,1]=4 106 B14R2.101 c1ccc(cc1)CSC2=NCCS2 Amb2496171 [1,0,1,0,0,0|1,0,1]=4 107 B14R2.8 CC[n]1c[n]c([n]1)-c2ccccc2 Amb24590867 [1,0,1,0,0,0|1,0,1]=4 108 B14R2.8 CSc1[nH]cc(n1)c2ccccc2 Amb1792184 [1,0,1,0,0,0|0,0,2]=4 109 B14R2.8 CSc1[nH]nc(n1)c2ccccc2 Amb1031082 [1,0,1,0,0,0|1,0,1]=4 110 B14R2.8 ClCC1=N[C@H](CO1)c2ccccc2 Amb25331175 [1,0,1,0,0,0|2,0,0]=4 111 B14R2.8 NNC=1NCC(N1)c2ccccc2 Amb25350104 [1,0,1,0,0,0|2,0,0]=4 112 B14R2.260 CN1CC(OC1=N)c2ccccc2 Amb25160668 [1,0,1,0,0,0|2,0,0]=4 113 B14R2.260 CN1C[C@@H](NC1=O)c2ccccc2 Amb25191937 [1,0,1,0,0,0|0,1,1]=4 114 B14R2.260 CN1C[C@H](NC1=O)c2ccccc2 Amb24418415 [1,0,1,0,0,0|0,1,1]=4 115 B14R2.260 C[n]1[n]c([n]c1S)-c2ccccc2 Amb25058633 [1,0,1,0,0,0|1,0,1]=4 116 B16R2.1067 Brc1ccc(cc1)CCN2CCCC2=O Amb17418777 [0,1,1,0,0,0|2,0,0]=4 117 B16R2.1067 CN/1CCN\C1=N/Cc2ccc(Br)cc2 Amb24776027 [0,1,1,0,0,0|1,0,0]=3 118 B16R2.1067 CN/1CCN\C1=N/Cc2ccc(Cl)cc2 Amb24775996 [0,1,1,0,0,0|1,0,0]=3 119 B16R2.1067 CN/1CCN\C1=N/Cc2ccc(F)cc2 Amb24776008 [0,1,1,0,0,0|1,0,0]=3 120 B16R2.1067 CN/1CCN\C1=N/Cc2ccc(O)cc2 Amb24776404 [0,1,1,0,0,0|1,0,0]=3 121 B16R2.1067 Cc1ccc(C\N=C\2/NCCN2C)c[n]1 Amb24775990 [0,1,1,0,0,0|2,0,0]=4 122 B16R2.1067 Cc1ccc(C\N=C\2/NCCN2C)cc1 Amb24776025 [0,1,1,0,0,0|1,0,0]=3 123 B16R2.1067 Cc1ccc(cc1)CCN2CCCC2=O Amb17402722 [0,1,1,0,0,0|2,0,0]=4 124 B16R2.1067 Clc1ccc(cc1)CCN2CCCC2=O Amb17406505 [0,1,1,0,0,0|2,0,0]=4 125 B16R2.1067 Fc1ccc(cc1)CCN2CCCC2=O Amb17403431 [0,1,1,0,0,0|2,0,0]=4 126 B16R2.1067 O=C1OCCN1CCc2ccc(Br)cc2 Amb25783293 [0,1,1,0,0,0|1,1,0]=4 127 B16R2.2904 CN/1N=C(S)S\C1=N/Cc2ccccc2 Amb20635637 [0,1,1,0,0,0|1,0,1]=4 128 B16R2.2904 NC1CC(=O)N(C1)CCc2ccccc2 Amb17066437 [0,1,1,0,0,0|2,0,0]=4 129 B16R2.2904 S=c1s\c(=N\Cc2ccccc2)\n([nH]1)C Amb1107083 [0,1,1,0,0,0|1,0,1]=4 130 B16R2.2910 Brc1cccc(c1)CCN2CCCC2=O Amb17418776 [0,1,1,0,0,0|2,0,0]=4 131 B16R2.2910 CN/1CCN\C1=N/Cc2cccc(Br)c2 Amb24775953 [0,1,1,0,0,0|1,0,0]=3 132 B16R2.2910 CN/1CCN\C1=N/Cc2cccc(Cl)c2 Amb24775980 [0,1,1,0,0,0|1,0,0]=3 133 B16R2.2910 CN/1CCN\C1=N/Cc2cccc(F)c2 Amb24776030 [0,1,1,0,0,0|1,0,0]=3 134 B16R2.2910 Cc1cc(C\N=C\2/NCCN2C)ccc1 Amb24775880 [0,1,1,0,0,0|1,0,0]=3 135 B16R2.2910 Cc1cccc(c1)CCN2CCCC2=O Amb17402721 [0,1,1,0,0,0|2,0,0]=4 136 B16R2.2910 Clc1cccc(c1)CCN2CCCC2=O Amb17406504 [0,1,1,0,0,0|2,0,0]=4 137 B16R2.2910 O=C1NCCN1CCc2cccc(Br)c2 Amb25755810 [0,1,1,0,0,0|2,0,0]=4 138 B16R2.2910 O=C1OCCN1CCc2cccc(Br)c2 Amb24678210 [0,1,1,0,0,0|1,1,0]=4 139 B16R2.2966 CN/1CCN\C1=N/Cc2ccccc2Br Amb24775959 [0,1,1,0,0,0|1,0,0]=3 140 B16R2.2966 CN/1CCN\C1=N/Cc2ccccc2Cl Amb24776000 [0,1,1,0,0,0|1,0,0]=3 141 B16R2.2966 CN/1CCN\C1=N/Cc2ccccc2F Amb24776010 [0,1,1,0,0,0|1,0,0]=3 142 B16R2.2966 Cc1cc[n]cc1C\N=C\2/NCCN2C Amb24776019 [0,1,1,0,0,0|2,0,0]=4 143 B16R2.2966 Cc1ccc[n]c1C\N=C\2/NCCN2C Amb24776002 [0,1,1,0,0,0|2,0,0]=4 144 B16R2.2966 Cc1ccccc1C\N=C\2/NCCN2C Amb24775878 [0,1,1,0,0,0|1,0,0]=3 145 B16R2.2966 O=C1CCCN1CCc2ccccc2C Amb17402720 [0,1,1,0,0,0|2,0,0]=4 146 B16R2.2966 O=C1CCCN1CCc2ccccc2Cl Amb17406503 [0,1,1,0,0,0|2,0,0]=4 147 B16R2.2966 O=C1CCCN1CCc2ccccc2F Amb17403430 [0,1,1,0,0,0|2,0,0]=4 148 B16R2.3005 CC(N1CCSC1=S)Sc2ccccc2 Amb10573671 [0,1,1,0,0,0|2,0,0]=4 149 B16R2.3005 CN(Cc1ccccc1)C2=NCCN2C Amb24741455 [0,1,1,0,0,0|1,0,1]=4 150 B16R2.3014 CN/1CCC\C1=N/C(=O)c2ccccc2 Amb2320112 [0,1,1,0,0,0|1,0,1]=4 151 B16R2.3014 CN/1CCC\C1=N/C(=S)c2ccccc2 Amb10661864 [0,1,1,0,0,0|1,0,1]=4 152 B16R2.3014 N=C/1\SCCN1CC(O)c2ccccc2 Amb20665769 [0,1,1,0,0,0|0,0,0]=2 153 B16R2.3014 N=C1CCCN1CC(=O)c2ccccc2 Amb1625700 [0,1,1,0,0,0|1,0,1]=4 154 B16R2.3014 N=C1SC=CN1CC(O)c2ccccc2 Amb20648068 [0,1,1,0,0,0|0,0,2]=4 155 B16R2.3014 O=C(c1ccccc1)CN2CCSC2=N Amb10810497 [0,1,1,0,0,0|0,0,1]=3 156 B16R2.3014 O=C(c1ccccc1)CN2CCSC2=N Amb2237337 [0,1,1,0,0,0|0,0,1]=3 157 B16R2.3014 O=C1CCCN1CC(c2ccccc2)N Amb1139110 [0,1,1,0,0,0|2,0,0]=4 158 B16R2.3014 OC(c1ccccc1)CN2CCSC2=N Amb1144437 [0,1,1,0,0,0|0,0,0]=2 159 B16R2.5952 CC1=CS\C(=N/Cc2ccccc2)\N1C Amb24576330 [0,1,1,0,0,0|0,0,2]=4 160 B16R2.150 NCCSc1[nH]cc(n1)c2ccccc2 Amb10880131 [0,1,1,0,0,0|0,0,2]=4 161 B16R2.157 CC(Sc1[nH]cc(n1)c2ccccc2)C Amb10708788 [0,1,1,0,0,0|0,0,2]=4 162 B16R2.157 CC(Sc1[nH]nc(n1)c2ccccc2)C Amb182882 [0,1,1,0,0,0|1,0,1]=4 163 B16R2.551 ClCCN1CC(OC1=O)c2ccccc2 Amb17247138 [0,1,1,0,0,0|2,0,0]=4 164 B16R2.551 NCCN1CC(OC1=O)c2ccccc2 Amb17238851 [0,1,1,0,0,0|2,0,0]=4 165 B16R2.551 SCCN1CC(NC1=O)c2ccccc2 Amb17619019 [0,1,1,0,0,0|0,0,1]=3 166 B16R2.125 CC(\N=C\1/CCCN1)c2ccc(F)cc2 Amb19388105 [0,1,1,0,0,0|1,0,0]=3 167 B16R2.125 Fc1ccc(cc1)C(SC2=NCCS2)C Amb10611013 [0,1,1,0,0,0|1,0,1]=4 168 B18R3.4323 O=C1C(=CN=C2SCCN21)c3ccccc3 Amb21933524 [0,1,0,0,0,1|0,0,2]=4 169 B18R3.6550 O=C1CC(N=C2SCCN21)c3ccccc3 Amb22904126 [0,1,0,0,0,1|0,0,0]=2 170 B18R3.6550 O=c1cc(nc2n1CCS2)c3ccccc3 Amb2080538 [0,1,0,0,0,1|0,0,2]=4 171 B18R3.53542 O=C1CSC2=NCN(CN12)c3ccccc3 Amb1039024 [0,1,0,0,0,1|1,0,1]=4 172 B18R3.30705 Clc1ccc(cc1)c2nn3c(n2)SCCC3 Amb1087033 [0,1,0,0,0,1|1,0,1]=4 173 B18R3.2823 N#Cc1c(nc2n1CCS2)c3ccccc3 Amb2420519 [0,2,0,0,0,0|0,0,2]=4 174 B18R3.2823 O=Cc1c(nc2n1CCS2)c3ccccc3 Amb2388496 [0,2,0,0,0,0|0,0,2]=4 175 B18R3.2823 OCc1c(nc2n1CCS2)c3ccccc3 Amb2388500 [0,2,0,0,0,0|0,0,2]=4 176 B18R3.2957 Clc1ccc(cc1)-c2[n]c3SCC[n]3c2Br Amb22476641 [0,2,0,0,0,0|0,0,2]=4 177 B18R3.6279 CC1C(N=C2SC(C)CN21)c3cccc[n]3 Amb23078714 [0,2,0,0,0,0|1,0,0]=3 178 B18R3.1541 CCC1CSC2=NC(CN21)c3cccc[n]3 Amb23078991 [0,2,0,0,0,0|1,0,0]=3 179 B18R3.3412 COc1ccc(cc1)-c2c[n]3CCSc3[n]2 Amb22051437 [0,2,0,0,0,0|0,0,2]=4 180 B18R3.3412 COc1ccc(cc1)c2cn3c(n2)SCC3 Amb1156089 [0,2,0,0,0,0|0,0,2]=4 181 B18R3.137761 Clc1ccc(cc1Cl)c2cn3c(n2)SCC3 Amb1419567 [0,2,0,0,0,0|0,0,2]=4 182 B18R3.137761 Oc1ccc(cc1O)c2cn3c(n2)SCC3 Amb1161516 [0,2,0,0,0,0|0,0,2]=4 183 B18R3.16173 COc1cc(ccc1)-c2c[n]3CCSc3[n]2 Amb22447236 [0,2,0,0,0,0|0,0,2]=4 184 B14R1.756 CCC(=O)N(CCc1ccccc1)C Amb14001759 [0,0,2,0,0,0|2,0,0]=4 185 B14R1.756 CCN(C)C(=N)NCc1ccccc1 Amb25029479 [0,0,2,0,0,0|1,0,1]=4 186 B14R1.756 CCN(C)C(=O)OCc1ccccc1 Amb25736143 [0,0,2,0,0,0|1,1,0]=4 187 B14R1.979 CCN\C(=N\Cc1ccccc1)\SC Amb24567812 [0,0,2,0,0,0|2,0,0]=4 188 B14R1.979 CCS\C(\NC)=N\Cc1ccccc1 Amb24460097 [0,0,2,0,0,0|0,0,0]=2 189 B14R1.29 CCNC(=N)NC(C)c1ccccc1 Amb19073531 [0,0,2,0,0,0|1,0,1]=4 190 B14R1.29 CCNC(=N)N[C@@H](C)c1ccccc1 Amb25170606 [0,0,2,0,0,0|1,0,1]=4 191 B14R1.58 CNC(NC(C)c1ccccc1)=NC Amb20631907 [0,0,2,0,0,0|1,0,1]=4 192 B14R1.58 CN\C(=N/C(=O)c1ccccc1)\SC Amb24669016 [0,0,2,0,0,0|1,0,1]=4 193 B14R1.58 CN\C(=N\C)\SC(C)c1ccccc1 Amb25293833 [0,0,2,0,0,0|2,0,0]=4 194 B14R1.58 CN\C(\N[C@@H](C)c1ccccc1)=N\C Amb24603079 [0,0,2,0,0,0|1,0,1]=4 195 B16R3.2620 NC1=NCC2c3ccccc3CCN12 Amb25200009 [0,0,1,1,0,0|1,0,1]=4 196 B16R3.2620 O=C1CCC2N1CCc3c2cccc3 Amb10569524 [0,0,1,1,0,0|2,0,0]=4 197 B16R3.2620 S=C1NCC2c3ccccc3CCN12 Amb25752804 [0,0,1,1,0,0|2,0,0]=4 198 B16R3.1791 C1NC(=CC1c2ccccc2)C3CC3 Amb25815065 [0,0,1,1,0,0|2,0,0]=4 199 B16R3.1782 C1C(C1C=2NCCN2)c3ccccc3 Amb24400260 [0,0,1,1,0,0|2,0,0]=4 200 B16R3.1782 C1[C@@H]([C@H]1C=2NCCN2)c3ccccc3 Amb24759012 [0,0,1,1,0,0|2,0,0]=4 201 B16R3.2705 NC1=NC(C2CCN12)c3ccccc3 Amb24567634 [0,0,1,1,0,0|1,0,0]=3 202 B16R3.2705 NC1=N[C@@H]([C@H]2CCN12)c3ccccc3 Amb24760775 [0,0,1,1,0,0|1,0,0]=3 203 B14R2.30 CC1=NCCN1Cc2ccccc2 Amb19958883 [0,0,1,0,1,0|2,0,0]=4 204 B14R2.30 CN/1CCC\C1=N/c2cc[n]cc2 Amb24634628 [0,0,1,0,1,0|2,0,0]=4 205 B14R2.30 CN/1CCN\C1=N\c2ccccc2 Amb24443832 [0,0,1,0,1,0|1,0,0]=3 206 B14R2.30 CN/1CCS\C1=N\c2ccccc2 Amb24433807 [0,0,1,0,1,0|0,0,0]=2 207 B14R2.30 N=C1NCCN1Cc2ccc[n]c2 Amb24441686 [0,0,1,0,1,0|2,0,0]=4 208 B14R2.30 N=C1SC=CN1Cc2ccccc2 Amb19372493 [0,0,1,0,1,0|0,0,2]=4 209 B14R2.30 N=C1SC=CN1Cc2ccccc2 Amb20635434 [0,0,1,0,1,0|0,0,2]=4 210 B14R2.30 N=C1SCCN1Cc2cc[n]cc2 Amb25161359 [0,0,1,0,1,0|1,0,0]=3 211 B14R2.30 NC1=NCCN1Cc2ccccc2 Amb24443473 [0,0,1,0,1,0|1,0,1]=4 212 B14R2.30 NC=1SCC[N+]1Cc2ccccc2 Amb24459387 [0,0,1,0,1,0|0,0,2]=4 213 B14R2.30 O=C1NCCN1Cc2ccccc2 Amb15701493 [0,0,1,0,1,0|2,0,0]=4 214 B14R2.30 O=C1OCCN1Cc2ccccc2 Amb25808956 [0,0,1,0,1,0|1,1,0]=4 215 B14R2.30 S=C1CCCN1Cc2ccccc2 Amb22463493 [0,0,1,0,1,0|2,0,0]=4 216 B14R2.30 S=C1SCCN1Cc2ccccc2 Amb22330415 [0,0,1,0,1,0|1,0,0]=3 217 B14R2.31 O=C1CCC1CCc2ccccc2 Amb24492658 [0,0,1,0,1,0|2,0,0]=4 218 B14R2.31 O=C1CC[C@H]1CCc2ccccc2 Amb24364139 [0,0,1,0,1,0|2,0,0]=4 219 B14R2.384 CN/1CCS\C1=N/Cc2ccco2 Amb24473616 [0,0,1,0,1,0|1,0,0]=3 220 B14R2.384 N=C1CCCN1CCc2cc[s]c2 Amb19052000 [0,0,1,0,1,0|2,0,0]=4 221 B14R2.384 N=C1CCCN1CCc2ccco2 Amb18180801 [0,0,1,0,1,0|2,0,0]=4 222 B14R2.41 NCCN1CC(C1)c2ccccc2 Amb25729394 [0,0,1,0,1,0|1,0,1]=4 223 B14R2.41 OCCN1CC(C1)c2ccccc2 Amb25337240 [0,0,1,0,1,0|0,1,1]=4 224 B14R2.114 CC(C1CCCN1)c2ccccc2 Amb23536676 [0,0,1,0,1,0|1,0,1]=4 225 B14R2.114 CC(C1NCCS1)c2ccccc2 Amb18321178 [0,0,1,0,1,0|0,0,1]=3 226 B14R2.114 NC(C=1NCCN1)c2ccccc2 Amb25123329 [0,0,1,0,1,0|2,0,0]=4 227 B14R2.114 O[C@H](C=1NCCN1)c2ccccc2 Amb24495655 [0,0,1,0,1,0|2,0,0]=4 228 B14R2.794 CC(CC1CCN1)c2ccccc2 Amb25356580 [0,0,1,0,1,0|1,0,1]=4 229 B14R2.794 NC(CN1CCC1)c2ccccc2 Amb25710846 [0,0,1,0,1,0|0,0,2]=4 230 B14R2.794 N[C@@H](CN1CCC1)c2ccccc2 Amb25351575 [0,0,1,0,1,0|0,0,2]=4 231 B14R2.794 O[C@@H](CN1CCC1)c2ccccc2 Amb25694951 [0,0,1,0,1,0|1,0,1]=4 232 B14R2.1253 C1NCCCCC1c2ccccc2 Amb21937009 [0,0,1,0,1,0|1,0,1]=4 233 B14R2.1253 C1NCCCOC1c2ccccc2 Amb20668525 [0,0,1,0,1,0|1,0,1]=4 234 B14R2.1253 C1NCCOCC1c2ccccc2 Amb18065703 [0,0,1,0,1,0|0,1,1]=4 235 B14R2.1253 C1NCCSCC1c2ccccc2 Amb25198560 [0,0,1,0,1,0|0,0,1]=3 236 B14R3.2933 C1CN2N(C1)C2c3ccccc3 Amb1045219 [0,0,0,0,2,0|2,0,0]=4 237 B16R2.71 CN/1CCCS\C1=N/Cc2ccccc2 Amb24346356 [0,0,1,0,0,1|0,0,0]=2 238 B16R2.71 O=C1CNCCN1CCc2ccccc2 Amb10607603 [0,0,1,0,0,1|2,0,0]=4 239 B16R2.71 O=C1CNCCN1CCc2ccccc2 Amb11012599 [0,0,1,0,0,1|2,0,0]=4 240 B16R2.252 O=C1CN(CCc2ccccc2)CCC1 Amb25205898 [0,0,1,0,0,1|2,0,0]=4 241 B16R2.252 O=C1NCCN(C1)CCc2ccccc2 Amb1569472 [0,0,1,0,0,1|2,0,0]=4 242 B16R2.3250 CN/1CCN\C1=N/CCc2cc[n]cc2 Amb24775882 [0,0,1,0,0,1|2,0,0]=4 243 B16R2.3250 CN/1CCN\C1=N/CCc2ccc[n]c2 Amb24775884 [0,0,1,0,0,1|2,0,0]=4 244 B16R2.3250 CN/1CCN\C1=N/CCc2cccc[n]2 Amb24775994 [0,0,1,0,0,1|2,0,0]=4 245 B16R2.3250 CN/1CCN\C1=N/CCc2ccccc2 Amb24776006 [0,0,1,0,0,1|1,0,0]=3 246 B16R2.3250 O=C1CCCN1CCOc2ccccc2 Amb17403066 [0,0,1,0,0,1|2,0,0]=4 247 B16R2.3250 S=C1NCCN1CCOc2ccccc2 Amb1813994 [0,0,1,0,0,1|2,0,0]=4 248 B16R2.7 CCOC=1CCC(CN1)c2ccccc2 Amb24091622 [0,0,1,0,0,1|1,1,0]=4