0 B16R3.5988 C1=CN2CC(c3ccccc3)N=C2S1 Amb25731959 [0,0,0,0,0,0|0,0,2]=2 1 B16R3.5988 c1cc(-c2cn3c(n2)SCC3)ccn1 Amb27268359 [0,0,0,0,0,0|1,0,2]=3 2 B16R3.5988 c1ccc(-[n+]2cn3c(n2)CCC3)cc1 Amb26643908 [0,0,0,0,0,0|2,0,1]=3 3 B16R3.5988 c1ccc(-[n+]2cn3c(n2)CCC3)cc1 Amb30594013 [0,0,0,0,0,0|2,0,1]=3 4 B16R3.5988 c1ccc(-[n+]2cn3c(n2)CCC3)cc1 Amb35825261 [0,0,0,0,0,0|2,0,1]=3 5 B16R3.5988 c1ccc(-c2cc3n(n2)CCC3)cc1 Amb28369839 [0,0,0,0,0,0|3,0,1]=4 6 B16R3.5988 c1ccc(-c2cc3n(n2)CCN3)cc1 Amb25676743 [0,0,0,0,0,0|3,0,1]=4 7 B16R3.5988 c1ccc(-c2cn3c([nH+]2)SCC3)cc1 Amb4230509 [0,0,0,0,0,0|0,0,3]=3 8 B16R3.5988 c1ccc(-c2cn3c(n2)CCC3)cc1 Amb579211 [0,0,0,0,0,0|1,0,2]=3 9 B16R3.5988 c1ccc(-c2cn3c(n2)CCC3)nc1 Amb26847133 [0,0,0,0,0,0|2,0,2]=4 10 B16R3.5988 c1ccc(-c2cn3c(n2)SCC3)cc1 Amb1000851 [0,0,0,0,0,0|0,0,2]=2 11 B16R3.5988 c1ccc(-c2cn3ccsc3n2)cc1 Amb1144848 [0,0,0,0,0,0|0,0,4]=4 12 B16R3.5988 c1ccc(-c2cn3ncsc3n2)cc1 Amb1147404 [0,0,0,0,0,0|1,0,3]=4 13 B16R3.5988 c1ccc(-c2nc3c(s2)CCN3)cc1 Amb17237514 [0,0,0,0,0,0|3,0,1]=4 14 B16R3.5988 c1ccc(-c2nc3n(n2)CCN3)cc1 Amb27427536 [0,0,0,0,0,0|2,0,1]=3 15 B16R3.5988 c1ccc(C2CN3CCSC3=N2)cc1 Amb10843756 [0,0,0,0,0,0|0,0,0]=0 16 B16R3.5988 c1ccc(C2CN3CCSC3=N2)cc1 Amb9871361 [0,0,0,0,0,0|0,0,0]=0 17 B16R3.5988 c1ccc([C@@H]2CN3CCSC3=N2)cc1 Amb8384567 [0,0,0,0,0,0|0,0,0]=0 18 B16R3.5988 c1ccc([C@H]2CN3CCSC3=N2)cc1 Amb3940925 [0,0,0,0,0,0|0,0,0]=0 19 B16R3.5988 c1ccc([C@H]2CN3CCSC3=N2)cc1 Amb8384058 [0,0,0,0,0,0|0,0,0]=0 20 B16R3.5988 c1ccc([C@H]2CN3CCSC3=N2)cc1 Amb8628523 [0,0,0,0,0,0|0,0,0]=0 21 B16R3.5988 c1cncc(-c2cn3c(n2)CCC3)c1 Amb28280785 [0,0,0,0,0,0|2,0,2]=4 22 B16R3.5988 c1cncc(-c2cn3c(n2)SCC3)c1 Amb28437235 [0,0,0,0,0,0|1,0,2]=3 23 B17R3.1855 Brc1c(-c2ccccc2)nc3n1CCC3 Amb3466770 [0,1,0,0,0,0|1,0,2]=4 24 B17R3.17867 Brc1ccc(-c2cn3c(n2)CCC3)cc1 Amb2502794 [0,1,0,0,0,0|1,0,2]=4 25 B17R3.17867 Brc1ccc(-c2cn3c(n2)SCC3)cc1 Amb1153182 [0,1,0,0,0,0|0,0,2]=3 26 B17R3.17867 Brc1ccc(C2CN3CCSC3=N2)cc1 Amb16226883 [0,1,0,0,0,0|0,0,0]=1 27 B17R3.17867 Brc1ccc(C2CN3CCSC3=N2)cc1 Amb8386652 [0,1,0,0,0,0|0,0,0]=1 28 B17R3.17867 Clc1ccc(-c2cn3c(n2)CCC3)cc1 Amb580259 [0,1,0,0,0,0|1,0,2]=4 29 B17R3.17867 Clc1ccc(-c2cn3c(n2)SCC3)cc1 Amb1264818 [0,1,0,0,0,0|0,0,2]=3 30 B17R3.17867 Nc1ccc(-c2cn3c(n2)CCC3)cc1 Amb6892148 [0,1,0,0,0,0|1,0,2]=4 31 B17R3.17867 Nc1ccc(-c2cn3c(n2)SCC3)cc1 Amb2724334 [0,1,0,0,0,0|0,0,2]=3 32 B17R3.18290 Nc1cccc(-c2cn3c(n2)SCC3)c1 Amb9174429 [0,1,0,0,0,0|0,0,2]=3 33 B15R2.55 CC1=C(NCc2ccccc2)OCC1 Amb27810906 [0,0,1,0,0,0|1,1,1]=4 34 B15R2.55 CN1CCC=C1NCc2ccccc2 Amb28129800 [0,0,1,0,0,0|1,0,1]=3 35 B15R2.55 CN1CCN=C1NCc2ccccc2 Amb27960827 [0,0,1,0,0,0|1,0,1]=3 36 B15R2.55 CN1CCN=C1NCc2ccncc2 Amb28124425 [0,0,1,0,0,0|2,0,1]=4 37 B15R2.55 N=C1CCCN1CCc2ccccn2 Amb7777957 [0,0,1,0,0,0|2,0,0]=3 38 B15R2.55 N=C1CCCN1CCc2ccncc2 Amb19060618 [0,0,1,0,0,0|2,0,0]=3 39 B15R2.55 N=C1CCCN1CCc2cnccn2 Amb28286511 [0,0,1,0,0,0|3,0,0]=4 40 B15R2.55 N=C1NCCN1CCc2ccccc2 Amb27984529 [0,0,1,0,0,0|1,0,0]=2 41 B15R2.55 O=C1CCCC1CCc2ccccc2 Amb4358591 [0,0,1,0,0,0|3,0,0]=4 42 B15R2.55 O=C1CCCN1CCc2ccccc2 Amb996223 [0,0,1,0,0,0|2,0,0]=3 43 B15R2.55 O=C1CNCN1CCc2ccccc2 Amb27808698 [0,0,1,0,0,0|3,0,0]=4 44 B15R2.55 O=C1NCCC1CCc2ccccc2 Amb25227286 [0,0,1,0,0,0|3,0,0]=4 45 B15R2.55 O=C1NCCN1CCc2ccccc2 Amb27171892 [0,0,1,0,0,0|2,0,0]=3 46 B15R2.55 O=C1NCCN1CCc2ccccn2 Amb25849804 [0,0,1,0,0,0|3,0,0]=4 47 B15R2.55 O=C1NCCN1CCc2cccnc2 Amb28363632 [0,0,1,0,0,0|3,0,0]=4 48 B15R2.55 O=C1NCCN1OCc2ccccc2 Amb28343267 [0,0,1,0,0,0|3,0,0]=4 49 B15R2.55 O=C1SC=CN1CCc2ccccc2 Amb27173438 [0,0,1,0,0,0|1,0,2]=4 50 B15R2.55 O=C1SCCC1NCc2ccccc2 Amb27261344 [0,0,1,0,0,0|3,0,0]=4 51 B15R2.55 S=C1CCCN1CCc2ccccc2 Amb26524190 [0,0,1,0,0,0|2,0,0]=3 52 B15R2.66 CCNC1=NC(c2ccccc2)CS1 Amb27400895 [0,0,1,0,0,0|2,0,0]=3 53 B15R2.66 CCNC1=NCC(c2ccccc2)S1 Amb9298216 [0,0,1,0,0,0|2,0,1]=4 54 B15R2.66 CCNC1=NN(c2ccccc2)CC1 Amb27607701 [0,0,1,0,0,0|3,0,0]=4 55 B15R2.66 CCSc1nc(-c2ccccc2)cs1 Amb3135630 [0,0,1,0,0,0|1,0,2]=4 56 B15R2.66 CC\N=C1\NCC(c2ccccc2)O1 Amb27832534 [0,0,1,0,0,0|2,0,0]=3 57 B15R2.66 ClCCn1cnc(-c2ccccc2)c1 Amb27816253 [0,0,1,0,0,0|1,0,2]=4 58 B15R2.66 NCCN1CCC(c2ccccc2)C1 Amb2720689 [0,0,1,0,0,0|2,0,1]=4 59 B15R2.66 NCCn1cnc(-c2ccccc2)c1 Amb18564437 [0,0,1,0,0,0|1,0,2]=4 60 B15R2.66 NCCn1cnc(-c2ccccc2)n1 Amb18564502 [0,0,1,0,0,0|2,0,1]=4 61 B15R2.66 OCCn1cnc(-c2ccccc2)c1 Amb26468815 [0,0,1,0,0,0|0,1,2]=4 62 B15R2.66 SCCc1cnn(-c2ccccc2)c1 Amb32951381 [0,0,1,0,0,0|2,0,1]=4 63 B15R2.1259 BrC(CC1CCSC1)c2ccccc2 Amb35696840 [0,0,1,0,0,0|2,0,1]=4 64 B15R2.1259 CC(CC1=NCCN1)c2ccccc2 Amb27239688 [0,0,1,0,0,0|2,0,0]=3 65 B15R2.1259 CC(CC1CCCN1)c2ccccc2 Amb26936209 [0,0,1,0,0,0|2,0,1]=4 66 B15R2.1259 CC(CN1CCCC1)c2ccccc2 Amb27483280 [0,0,1,0,0,0|2,0,1]=4 67 B15R2.1259 CC(NC1=NCCC1)c2ccccc2 Amb27954520 [0,0,1,0,0,0|1,0,2]=4 68 B15R2.1259 CC(NC1=NCCS1)c2ccccc2 Amb1104078 [0,0,1,0,0,0|0,0,2]=3 69 B15R2.1259 CC(NC1=NCCS1)c2ccncc2 Amb9385539 [0,0,1,0,0,0|1,0,2]=4 70 B15R2.1259 CN(CC1=NCCN1)c2ccccc2 Amb27746904 [0,0,1,0,0,0|3,0,0]=4 71 B15R2.1259 C[C@@H](NC1=NCCC1)c2ccccc2 Amb27634732 [0,0,1,0,0,0|1,0,2]=4 72 B15R2.1259 C[C@H](CC1=NCCN1)c2ccccc2 Amb27749205 [0,0,1,0,0,0|2,0,0]=3 73 B15R2.1259 C[C@H](NC1=NCCN1)c2ccccn2 Amb28192101 [0,0,1,0,0,0|2,0,1]=4 74 B15R2.1259 C[C@H](NC1=NCCN1)c2cccnc2 Amb28141733 [0,0,1,0,0,0|2,0,1]=4 75 B15R2.1259 C[C@H](NC1=NCCS1)c2ccccc2 Amb27947427 [0,0,1,0,0,0|0,0,2]=3 76 B15R2.1259 ClC(CC1CCSC1)c2ccccc2 Amb35696838 [0,0,1,0,0,0|2,0,1]=4 77 B15R2.1259 ClC(CN1CCCC1)c2ccccc2 Amb17546769 [0,0,1,0,0,0|2,0,1]=4 78 B15R2.1259 NC(CC1CCSC1)c2ccccc2 Amb35730571 [0,0,1,0,0,0|1,0,2]=4 79 B15R2.1259 NC(CN1CCCC1)c2ccccc2 Amb10070298 [0,0,1,0,0,0|1,0,2]=4 80 B15R2.1259 NC(CN1CCCC1)c2ccccc2 Amb34157772 [0,0,1,0,0,0|1,0,2]=4 81 B15R2.1259 NC(CN1CCCC1)c2ccccc2 Amb9707817 [0,0,1,0,0,0|1,0,2]=4 82 B15R2.1259 N[C@@H](CN1CCCC1)c2ccccc2 Amb26601051 [0,0,1,0,0,0|1,0,2]=4 83 B15R2.1259 N[C@@H](CN1CCCC1)c2ccccc2 Amb34158196 [0,0,1,0,0,0|1,0,2]=4 84 B15R2.1259 N[C@H](CN1CCCC1)c2ccccc2 Amb25182989 [0,0,1,0,0,0|1,0,2]=4 85 B15R2.1259 N[C@H](CN1CCCC1)c2ccccc2 Amb34913914 [0,0,1,0,0,0|1,0,2]=4 86 B15R2.1259 O=C(\C=C1/NCCS1)c2ccccc2 Amb24311851 [0,0,1,0,0,0|2,0,1]=4 87 B15R2.1259 O=C(\C=C1\NCCS1)c2ccccc2 Amb27197577 [0,0,1,0,0,0|2,0,1]=4 88 B15R2.1259 OC(CC1CCSC1)c2ccccc2 Amb35682302 [0,0,1,0,0,0|2,0,1]=4 89 B15R2.1259 OC(CN1CCCC1)c2ccccc2 Amb2745049 [0,0,1,0,0,0|2,0,1]=4 90 B15R2.1259 OC(CN1CCCN1)c2ccccc2 Amb27879892 [0,0,1,0,0,0|3,0,0]=4 91 B15R2.1259 O[C@@H](CN1CCCN1)c2ccccc2 Amb28068141 [0,0,1,0,0,0|3,0,0]=4 92 B15R2.1259 O[C@H](CN1CCCC1)c2ccccc2 Amb27205411 [0,0,1,0,0,0|2,0,1]=4 93 B15R2.1259 O[C@H](CN1CCCN1)c2ccccc2 Amb27469103 [0,0,1,0,0,0|3,0,0]=4 94 B15R2.2248 CSc1nc(-c2ccccc2)oc1C Amb8392720 [0,0,1,0,0,0|2,0,1]=4 95 B15R3.4166 C1=CN2CC(c3ccco3)N=C2S1 Amb27223401 [0,0,0,0,1,0|1,0,2]=4 96 B15R3.4166 C1=CN2CC(c3cccs3)N=C2S1 Amb25312097 [0,0,0,0,1,0|1,0,2]=4 97 B15R3.4166 C1=CN2CC(c3ccsc3)N=C2S1 Amb27972333 [0,0,0,0,1,0|1,0,2]=4 98 B15R3.4166 c1csc(-c2cn3c(n2)SCC3)c1 Amb1583093 [0,0,0,0,1,0|1,0,2]=4 99 B17R3.1941 c1cc(C2CNC3=NCCN3C2)ccn1 Amb32714374 [0,0,0,0,0,1|2,0,1]=4 100 B17R3.1941 c1ccc(C2CN3CCCC3CN2)cc1 Amb17578976 [0,0,0,0,0,1|1,0,2]=4 101 B17R3.1941 c1ccc(C2CNC3=NCCN3C2)cc1 Amb32714282 [0,0,0,0,0,1|1,0,1]=3 102 B17R3.8708 c1ccc(-c2cn3c(n2)CCCC3)cc1 Amb17337327 [0,0,0,0,0,1|1,0,2]=4 103 B17R3.8708 c1ccc(-c2cn3c(n2)CNCC3)cc1 Amb19037656 [0,0,0,0,0,1|1,0,2]=4 104 B17R3.8708 c1ccc(-c2cn3c(n2)NCCC3)cc1 Amb28963654 [0,0,0,0,0,1|1,0,2]=4 105 B17R3.8708 c1ccc(-c2cn3c(n2)NCCC3)cc1 Amb31112183 [0,0,0,0,0,1|1,0,2]=4 106 B17R3.8708 c1ccc(-c2nc3n(n2)CCCN3)cc1 Amb32992279 [0,0,0,0,0,1|2,0,1]=4 107 B14R2.101 C1=C(CCc2ccccc2)CCC1 Amb28288576 [1,0,1,0,0,0|2,0,0]=4 108 B14R2.101 c1ccc(CCC2=NCCN2)cc1 Amb18065541 [1,0,1,0,0,0|2,0,0]=4 109 B14R2.101 c1ccc(CCN2CCCN2)cc1 Amb27779956 [1,0,1,0,0,0|2,0,0]=4 110 B14R2.101 c1ccc(CNC2=NCCS2)cc1 Amb364827 [1,0,1,0,0,0|0,0,2]=4 111 B14R2.101 c1ccc(CSC2=NCCN2)cc1 Amb2611261 [1,0,1,0,0,0|2,0,0]=4 112 B14R2.101 c1ccc(CSC2=NCCN2)cc1 Amb2736592 [1,0,1,0,0,0|2,0,0]=4 113 B14R2.101 c1ccc(C\N=C2\NCCS2)cc1 Amb4303475 [1,0,1,0,0,0|0,0,0]=2 114 B14R2.101 c1ccc(N\N=C2/NCCS2)cc1 Amb25079632 [1,0,1,0,0,0|1,0,0]=3 115 B14R2.8 BrCN1C=NN(c2ccccc2)C1 Amb27198517 [1,0,1,0,0,0|2,0,0]=4 116 B14R2.8 CCC1NCC(c2ccccc2)O1 Amb28054826 [1,0,1,0,0,0|1,0,1]=4 117 B14R2.8 CCn1cnc(-c2ccccc2)c1 Amb28242779 [1,0,1,0,0,0|0,0,2]=4 118 B14R2.8 CNC1=NC(c2ccccc2)CS1 Amb28321658 [1,0,1,0,0,0|2,0,0]=4 119 B14R2.8 COC1=NC(c2ccccc2)CN1 Amb27827838 [1,0,1,0,0,0|0,1,0]=3 120 B14R2.8 CSC1=NC(c2ccccc2)CN1 Amb27851456 [1,0,1,0,0,0|0,0,0]=2 121 B14R2.8 ClCC1=NC(c2ccccc2)CO1 Amb27758751 [1,0,1,0,0,0|2,0,0]=4 122 B14R2.8 ClCC1=N[C@H](c2ccccc2)CO1 Amb27983713 [1,0,1,0,0,0|2,0,0]=4 123 B14R2.260 CC1CC(c2ccccc2)CN1C Amb27833490 [1,0,1,0,0,0|1,0,1]=4 124 B14R2.260 CN1CC(c2ccccc2)N=C1N Amb27462251 [1,0,1,0,0,0|1,0,0]=3 125 B14R2.260 CN1CC(c2ccccc2)OC1=N Amb25160668 [1,0,1,0,0,0|2,0,0]=4 126 B14R2.260 CN1CC(c2ccccc2)OC1=O Amb4403466 [1,0,1,0,0,0|1,1,0]=4 127 B16R2.1067 Cc1ccc(CCN2CCCC2=O)cc1 Amb17402722 [0,1,1,0,0,0|2,0,0]=4 128 B16R2.1067 Cc1ccc(CCN2CCNC2=O)cc1 Amb32427053 [0,1,1,0,0,0|2,0,0]=4 129 B16R2.1067 Nc1ccc(CCN2CCNC2=O)cc1 Amb18973443 [0,1,1,0,0,0|2,0,0]=4 130 B16R2.1067 Nc1ccc(CCN2CCOC2=O)cc1 Amb9380808 [0,1,1,0,0,0|1,1,0]=4 131 B16R2.1067 O=C1CCCN1CCc2ccc(Br)cc2 Amb17418777 [0,1,1,0,0,0|2,0,0]=4 132 B16R2.1067 O=C1CCCN1CCc2ccc(Cl)cc2 Amb17406505 [0,1,1,0,0,0|2,0,0]=4 133 B16R2.1067 O=C1CCCN1CCc2ccc(F)cc2 Amb17403431 [0,1,1,0,0,0|2,0,0]=4 134 B16R2.1067 O=C1NCCN1CCc2ccc(Cl)cc2 Amb32427058 [0,1,1,0,0,0|2,0,0]=4 135 B16R2.2904 CN1N=C(S)S\C1=N/Cc2ccccc2 Amb20635637 [0,1,1,0,0,0|1,0,1]=4 136 B16R2.2904 Cn1nc(=S)s\c1=N\Cc2ccccc2 Amb1107083 [0,1,1,0,0,0|1,0,1]=4 137 B16R2.2904 NC1CC(=O)N(CCc2ccccc2)C1 Amb17066437 [0,1,1,0,0,0|2,0,0]=4 138 B16R2.2904 NC1CC(=O)N(CCc2ccccc2)C1 Amb2607684 [0,1,1,0,0,0|2,0,0]=4 139 B16R2.2910 Cc1cccc(CCN2CCCC2=O)c1 Amb17402721 [0,1,1,0,0,0|2,0,0]=4 140 B16R2.2910 Cc1cccc(CCN2CCNC2=O)c1 Amb32427051 [0,1,1,0,0,0|2,0,0]=4 141 B16R2.2910 O=C1CCCN1CCc2cccc(Br)c2 Amb17418776 [0,1,1,0,0,0|2,0,0]=4 142 B16R2.2910 O=C1CCCN1CCc2cccc(Cl)c2 Amb17406504 [0,1,1,0,0,0|2,0,0]=4 143 B16R2.2948 O=C1CSC(=S)N1CCc2ccccc2 Amb6566577 [0,1,1,0,0,0|1,0,1]=4 144 B16R2.2966 Cc1ccccc1CCN2CCCC2=O Amb17402720 [0,1,1,0,0,0|2,0,0]=4 145 B16R2.2966 O=C1CCCN1CCc2ccccc2Cl Amb17406503 [0,1,1,0,0,0|2,0,0]=4 146 B16R2.2966 O=C1CCCN1CCc2ccccc2F Amb17403430 [0,1,1,0,0,0|2,0,0]=4 147 B16R2.3005 O=C(Cc1ccccc1)N2CCSC2=S Amb6469119 [0,1,1,0,0,0|1,0,1]=4 148 B16R2.3014 CC(CN1CCNC1=O)c2ccccc2 Amb32427049 [0,1,1,0,0,0|2,0,0]=4 149 B16R2.3014 N=C1CCCN1CC(=O)c2ccccc2 Amb4497099 [0,1,1,0,0,0|1,0,1]=4 150 B16R2.3014 N=C1SCCN1CC(=O)c2ccccc2 Amb2237337 [0,1,1,0,0,0|0,0,1]=3 151 B16R2.3014 N=C1SCCN1CC(=O)c2ccccc2 Amb3318646 [0,1,1,0,0,0|0,0,1]=3 152 B16R2.3014 N=C1SCCN1CC(Cl)c2ccccc2 Amb4286390 [0,1,1,0,0,0|0,0,0]=2 153 B16R2.3014 N=C1SCCN1CC(O)c2ccccc2 Amb1144437 [0,1,1,0,0,0|0,0,0]=2 154 B16R2.3014 N=C1SCCN1CC(O)c2ccccc2 Amb3471187 [0,1,1,0,0,0|0,0,0]=2 155 B16R2.3014 N=C1\SCCN1CC(O)c2ccccc2 Amb20665769 [0,1,1,0,0,0|0,0,0]=2 156 B16R2.3014 NC(CN1CCCC1=O)c2ccccc2 Amb1139110 [0,1,1,0,0,0|2,0,0]=4 157 B16R2.3014 O=C1OCCN1CC(O)c2ccccc2 Amb34148757 [0,1,1,0,0,0|1,1,0]=4 158 B16R2.3014 [NH2+]=C1SCCN1CC(O)c2ccccc2 Amb5496225 [0,1,1,0,0,0|0,0,1]=3 159 B16R2.5952 O=C1C(Br)CCN1CCc2ccccc2 Amb27761926 [0,1,1,0,0,0|2,0,0]=4 160 B16R2.5952 O=C1CCN(CCc2ccccc2)C1=O Amb27405409 [0,1,1,0,0,0|2,0,0]=4 161 B16R2.551 NCCN1CC(c2ccccc2)CC1=O Amb31112723 [0,1,1,0,0,0|2,0,0]=4 162 B16R2.551 NCCN1CC(c2ccccc2)OC1=O Amb17238851 [0,1,1,0,0,0|2,0,0]=4 163 B16R2.551 O=C1OC(c2ccccc2)CN1CCCl Amb17247138 [0,1,1,0,0,0|2,0,0]=4 164 B16R2.21 CCN1CC(c2ccc(N)cc2)OC1=O Amb18121047 [0,1,1,0,0,0|1,1,0]=4 165 B16R2.2390 CSc1nc(-c2ccccc2)c(N)n1C Amb31095516 [0,1,1,0,0,0|0,0,2]=4 166 B18R3.151 CC1CN2CC(c3ccccc3)CNC2=N1 Amb32714522 [0,1,0,0,0,1|1,0,1]=4 167 B18R3.2972 Cc1ccc(C2CNC3=NCCN3C2)cc1 Amb32714260 [0,1,0,0,0,1|1,0,1]=4 168 B18R3.2823 N#Cc1c(-c2ccccc2)nc3n1CCS3 Amb2420519 [0,2,0,0,0,0|0,0,2]=4 169 B18R3.2823 O=Cc1c(-c2ccccc2)nc3n1CCS3 Amb2388496 [0,2,0,0,0,0|0,0,2]=4 170 B18R3.2823 OCc1c(-c2ccccc2)nc3n1CCS3 Amb2388500 [0,2,0,0,0,0|0,0,2]=4 171 B14R1.123 CNCCSCOCc1ccccc1 Amb27434622 [0,0,2,0,0,0|1,0,1]=4 172 B14R1.520 CCNC(=N)NOCc1ccccc1 Amb27170970 [0,0,2,0,0,0|2,0,0]=4 173 B14R1.520 CCOC(=O)NCCc1ccccc1 Amb6358963 [0,0,2,0,0,0|1,1,0]=4 174 B14R1.756 CNC(=N)N(C)NCc1ccccc1 Amb27462202 [0,0,2,0,0,0|2,0,0]=4 175 B14R1.29 CCNC(=N)N[C@H](C)c1ccccc1 Amb27247998 [0,0,2,0,0,0|1,0,1]=4 176 B14R1.29 CCNC(=O)N[C@@H](C)c1ccccc1 Amb27827991 [0,0,2,0,0,0|0,1,1]=4 177 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 Amb28325812 [0,0,2,0,0,0|0,1,1]=4 178 B14R1.29 CCNC(=S)NC(C)c1ccccc1 Amb8697925 [0,0,2,0,0,0|0,0,2]=4 179 B14R1.58 CN\C(=N/C(=O)c1ccccc1)SC Amb24669016 [0,0,2,0,0,0|1,0,1]=4 180 B14R1.58 C\N=C(\NC)NC(C)c1ccccc1 Amb27453696 [0,0,2,0,0,0|1,0,1]=4 181 B14R1.58 C\N=C(\NC)N[C@H](C)c1ccccc1 Amb27974924 [0,0,2,0,0,0|1,0,1]=4 182 B16R3.1782 c1ccc([C@H]2C[C@H]2C3=NCCN3)cc1 Amb27623330 [0,0,1,1,0,0|2,0,0]=4 183 B16R3.62917 c1ccc(C2CC3(C2)NCCS3)cc1 Amb35733876 [0,0,1,1,0,0|1,0,1]=4 184 B14R2.30 CC1=NCCN1Cc2ccccc2 Amb19958883 [0,0,1,0,1,0|2,0,0]=4 185 B14R2.30 CC1=NCCN1Cc2ccccc2 Amb32660813 [0,0,1,0,1,0|2,0,0]=4 186 B14R2.30 CN1CCO\C1=N/c2ccccc2 Amb27632970 [0,0,1,0,1,0|0,1,0]=3 187 B14R2.30 N=C1CCCN1Cc2ccccc2 Amb7777953 [0,0,1,0,1,0|1,0,0]=3 188 B14R2.30 N=C1SC=CN1Cc2ccccc2 Amb19372493 [0,0,1,0,1,0|0,0,2]=4 189 B14R2.30 N=C1SC=CN1Cc2ccccc2 Amb20635434 [0,0,1,0,1,0|0,0,2]=4 190 B14R2.30 O=C1CCCN1Cc2ccccc2 Amb6357366 [0,0,1,0,1,0|2,0,0]=4 191 B14R2.30 O=C1NCCN1Cc2ccccc2 Amb15701493 [0,0,1,0,1,0|2,0,0]=4 192 B14R2.30 S=C1SCCN1Cc2ccccc2 Amb22330415 [0,0,1,0,1,0|1,0,0]=3 193 B14R2.384 N=C1CCCN1CCc2ccco2 Amb18180801 [0,0,1,0,1,0|2,0,0]=4 194 B14R2.384 N=C1CCCN1CCc2ccoc2 Amb29872268 [0,0,1,0,1,0|2,0,0]=4 195 B14R2.41 ClCCN1CC(c2ccccc2)C1 Amb28458512 [0,0,1,0,1,0|1,0,1]=4 196 B14R2.114 CC(C1=NCCN1)c2ccccc2 Amb27790838 [0,0,1,0,1,0|1,0,0]=3 197 B14R2.114 CC(c1ccccc1)C2CCCN2 Amb23536676 [0,0,1,0,1,0|1,0,1]=4 198 B14R2.114 CC(c1ccccc1)C2NCCS2 Amb18321178 [0,0,1,0,1,0|0,0,1]=3 199 B14R2.114 CN(C1=NCCN1)c2ccccc2 Amb27411972 [0,0,1,0,1,0|2,0,0]=4 200 B14R2.114 OC(C1=NCCN1)c2ccccc2 Amb27608669 [0,0,1,0,1,0|2,0,0]=4 201 B14R2.114 OC(C1=NCCS1)c2ccccc2 Amb28065880 [0,0,1,0,1,0|1,0,1]=4 202 B14R2.114 O[C@@H](C1=NCCN1)c2ccccc2 Amb27491000 [0,0,1,0,1,0|2,0,0]=4 203 B14R2.794 N[C@H](CN1CCC1)c2ccccc2 Amb28067812 [0,0,1,0,1,0|0,0,2]=4 204 B14R2.1253 C1=CC(c2ccccc2)CCCC1 Amb4035375 [0,0,1,0,1,0|2,0,0]=4 205 B14R2.1253 C1=COC(c2ccccc2)CCC1 Amb8392664 [0,0,1,0,1,0|2,0,0]=4 206 B14R2.1253 c1ccc(C2CCCCNC2)cc1 Amb21937009 [0,0,1,0,1,0|1,0,1]=4 207 B14R2.1253 c1ccc(C2CNCCCN2)cc1 Amb2696383 [0,0,1,0,1,0|0,0,2]=4 208 B14R2.1253 c1ccc(C2CNCCCO2)cc1 Amb20668525 [0,0,1,0,1,0|1,0,1]=4 209 B14R2.1253 c1ccc(C2CNCCCO2)cc1 Amb9358450 [0,0,1,0,1,0|1,0,1]=4 210 B14R2.1253 c1ccc(C2CNCCOC2)cc1 Amb18065703 [0,0,1,0,1,0|0,1,1]=4 211 B14R3.2933 c1ccc(C2N3CCCN23)cc1 Amb1045219 [0,0,0,0,2,0|2,0,0]=4 212 B16R2.71 CN1CCCN=C1NCc2ccccc2 Amb27622230 [0,0,1,0,0,1|1,0,1]=4 213 B16R2.71 O=C1CNCCN1CCc2ccccc2 Amb10607603 [0,0,1,0,0,1|2,0,0]=4 214 B16R2.71 O=C1CNCCN1CCc2ccccc2 Amb11012599 [0,0,1,0,0,1|2,0,0]=4 215 B16R2.252 BrC1=CCCN(CCc2ccccc2)C1 Amb35707109 [0,0,1,0,0,1|2,0,0]=4 216 B16R2.252 O=C1CN(CCc2ccccc2)CCN1 Amb1569472 [0,0,1,0,0,1|2,0,0]=4 217 B16R2.3250 CN1CCN=C1NOCc2ccccc2 Amb28197479 [0,0,1,0,0,1|1,0,1]=4 218 B16R2.3250 O=C1CCCN1CCOc2ccccc2 Amb17403066 [0,0,1,0,0,1|2,0,0]=4 219 B16R2.3250 O=C1CCCN1CNCc2ccccc2 Amb27767143 [0,0,1,0,0,1|2,0,0]=4 220 B16R2.3250 O=C1NCCN1CCCc2ccccc2 Amb32427061 [0,0,1,0,0,1|2,0,0]=4 221 B16R2.7 CCOC1=NCC(c2ccccc2)CC1 Amb24091622 [0,0,1,0,0,1|1,1,0]=4