0 B10R1.66 CC(=O)NCc1ccc[nH]1 AIFCHEM-94605343937 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.66 CC(=O)NCc1cccs1 AIFCHEM-6123944273 [0,0,0,0,0,0|1,1,0]=2 2 B10R1.66 CC(=O)NCc1ncn[nH]1 AIFCHEM-6113521416 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.12 CCNCc1ccco1 AIFCHEM-94594829503 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.25 CCC(=O)NCc1cnco1 AIFCHEM-94526501982 [0,1,0,0,0,0|2,0,0]=3 5 B11R1.25 CCC(=O)NCc1cncs1 AIFCHEM-94526501531 [0,1,0,0,0,0|2,1,0]=4 6 B11R1.25 O=C(CO)NCc1cnco1 AIFCHEM-94532677187 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.25 O=C(CO)NCc1cocn1 AIFCHEM-94553465761 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.75 CC(=O)NCc1cc(no1)C AIFCHEM-5702549235 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.75 CC(=O)NCc1ccc(o1)Br AIFCHEM-94535592842 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.75 CC(=O)NCc1ccc(s1)Br AIFCHEM-6251014657 [0,1,0,0,0,0|1,1,0]=3 11 B11R1.75 CC(=O)NCc1ccc(s1)C AIFCHEM-94561602504 [0,1,0,0,0,0|1,1,0]=3 12 B11R1.75 CC(=O)NCc1ccn(n1)C AIFCHEM-94605354727 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.77 CC(=O)NC(C)c1ccsc1 AIFCHEM-5948428859 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.90 CC(C)NCc1occc1Br AIFCHEM-94520537820 [0,1,0,0,0,0|2,0,1]=4 15 B9R1.13 CC(=Cc1cccs1)C AIFCHEM-94564040356 [0,0,0,0,1,0|1,1,1]=4 16 B9R1.13 CC(=O)Nc1ccn[nH]1 AIFCHEM-94519996923 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.13 CC(=O)Nc1ncco1 AIFCHEM-6274686839 [0,0,0,0,1,0|2,0,0]=3 18 B11R1.91 CC(=O)NCc1ccccn1 AIFCHEM-5686879180 [0,0,0,0,0,1|2,0,0]=3 19 B11R1.91 CC(=O)NCc1ccncn1 AIFCHEM-94605339593 [0,0,0,0,0,1|2,0,0]=3 20 B11R1.91 CC(=O)NCc1cnccn1 AIFCHEM-94535589218 [0,0,0,0,0,1|2,0,0]=3 21 B11R1.172 CC(=O)NCCc1cc[nH]n1 AIFCHEM-94535591087 [0,0,0,0,0,1|2,0,0]=3 22 B11R1.172 CC(=O)NCCn1cccc1 AIFCHEM-94535595097 [0,0,0,0,0,1|2,0,0]=3 23 B11R1.172 CC(=O)NCCn1cncn1 AIFCHEM-5648901108 [0,0,0,0,0,1|3,0,0]=4 24 B11R1.172 CC(O)CNCc1cnco1 AIFCHEM-6417392794 [0,0,0,0,0,1|1,0,2]=4 25 B11R1.172 CN(C)CCNc1ncco1 AIFCHEM-94564766578 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.172 C[C@@H](O)CNCc1cnco1 AIFCHEM-6491190597 [0,0,0,0,0,1|1,0,2]=4 27 B11R1.172 C[C@H](O)CNCc1cnco1 AIFCHEM-6500782137 [0,0,0,0,0,1|1,0,2]=4 28 B10R1.11 CCN[C@H](C)c1ccco1 AIFCHEM-94537422471 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.21 CCCCNc1ncco1 AIFCHEM-94523038147 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.21 CCCNCc1ccno1 AIFCHEM-94569018772 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.21 CCCNCc1cnco1 AIFCHEM-94521366295 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.21 N#CCNCc1ccco1 AIFCHEM-94540088190 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.27 CCN(C)Cc1ccco1 AIFCHEM-94537421946 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.54 CC(=O)Nc1ccc(s1)C AIFCHEM-94535596396 [0,1,0,0,1,0|1,1,0]=4 35 B12R1.21 CC(=O)NCc1ccc(nn1)Cl AIFCHEM-6136039517 [0,1,0,0,0,1|2,0,0]=4 36 B12R1.21 CC(=O)NCc1ncc(cn1)Cl AIFCHEM-6212177524 [0,1,0,0,0,1|2,0,0]=4 37 B12R1.27 O=C(CO)NCc1cccnc1 AIFCHEM-6213017725 [0,1,0,0,0,1|2,0,0]=4 38 B12R1.27 O=C(CO)NCc1ccncc1 AIFCHEM-94532684529 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.27 O=C(CO)NCc1cnccn1 AIFCHEM-94604424653 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.43 CC(=O)N(C)Cc1ccncc1 AIFCHEM-94531380102 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.107 CC(=O)NC(C)c1ccccn1 AIFCHEM-5837712398 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.107 CC(=O)N[C@@H](C)c1ccccn1 AIFCHEM-5685771532 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.107 CC(=O)N[C@H](C)c1ccccn1 AIFCHEM-94582277765 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.125 CC(=O)NCc1ccccc1Br AIFCHEM-94605352816 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.125 CC(=O)NCc1ccccc1O AIFCHEM-94535601059 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.226 CC(=O)NCc1cccc(n1)C AIFCHEM-5718068665 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.226 CC(=O)NCc1cncc(c1)C AIFCHEM-94535591610 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.54 CC(=O)CNC(=O)c1cnco1 AIFCHEM-6058146044 [0,1,0,0,0,1|1,0,1]=4 49 B12R1.105 Cc1ccc(o1)CNCC(C)O AIFCHEM-6395815492 [0,1,0,0,0,1|0,0,2]=4 50 B12R1.105 Cc1ccc(o1)CNC[C@@H](C)O AIFCHEM-6509526074 [0,1,0,0,0,1|0,0,2]=4 51 B12R1.105 Cc1ccc(o1)CNC[C@H](C)O AIFCHEM-6500519723 [0,1,0,0,0,1|0,0,2]=4 52 B12R1.130 CC(C)CNCc1occc1Br AIFCHEM-94563720197 [0,1,0,0,0,1|1,0,1]=4 53 B12R1.260 CC(C)CN(C)Cc1ccco1 AIFCHEM-94540089238 [0,1,0,0,0,1|1,0,1]=4 54 B12R1.260 CN(CC(=O)O)Cc1cccs1 AIFCHEM-5665736271 [0,1,0,0,0,1|1,1,0]=4 55 B12R1.264 CC(C)C(C)NCc1ccco1 AIFCHEM-94557349416 [0,1,0,0,0,1|1,0,1]=4 56 B12R1.264 CC(C)[C@@H](C)NCc1ccco1 AIFCHEM-94576823774 [0,1,0,0,0,1|1,0,1]=4 57 B12R1.264 CC(NCc1ncco1)C(=O)N AIFCHEM-6220295822 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.264 CC(O)C(C)NCc1ccco1 AIFCHEM-94547072196 [0,1,0,0,0,1|0,0,2]=4 59 B12R1.264 C[C@@H](NCc1ncco1)C(=O)N AIFCHEM-94551554197 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.264 C[C@H](NCc1ncco1)C(=O)N AIFCHEM-5749568244 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.477 CC(CO)CNCc1ccco1 AIFCHEM-94540081585 [0,1,0,0,0,1|0,0,2]=4 62 B12R1.477 CCC(=O)NCCc1ncc[nH]1 AIFCHEM-94526503472 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.477 CCC(=O)NCCc1nccs1 AIFCHEM-94526503930 [0,1,0,0,0,1|1,1,0]=4 64 B12R1.477 CNC(=O)CNCc1cccs1 AIFCHEM-94562546321 [0,1,0,0,0,1|0,1,0]=3 65 B12R1.477 CNC(=O)CNCc1cncs1 AIFCHEM-94562539701 [0,1,0,0,0,1|1,1,0]=4 66 B12R1.477 CNC(=O)CNCc1cscn1 AIFCHEM-94562543085 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.477 COC(=O)CNCc1cccs1 AIFCHEM-6233438102 [0,1,0,0,0,1|0,1,0]=3 68 B12R1.477 O=C(CO)NCCn1cccn1 AIFCHEM-6070965186 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.477 OCC(O)CNCc1ccco1 AIFCHEM-94594828484 [0,1,0,0,0,1|0,0,2]=4 70 B12R1.477 OC[C@@H](F)CNCc1ccco1 AIFCHEM-94540086049 [0,1,0,0,0,1|1,0,1]=4 71 B12R1.477 OC[C@@H](O)CNCc1ccco1 AIFCHEM-94594827927 [0,1,0,0,0,1|0,0,2]=4 72 B12R1.477 OC[C@H](F)CNCc1ccco1 AIFCHEM-94540086048 [0,1,0,0,0,1|1,0,1]=4 73 B12R1.477 OC[C@H](O)CNCc1ccco1 AIFCHEM-94540089711 [0,1,0,0,0,1|0,0,2]=4 74 B12R1.890 CC(C)(C)CNCc1ccco1 AIFCHEM-94540088701 [0,1,0,0,0,1|1,0,1]=4 75 B12R1.15 CC(NC(=O)CO)c1cccs1 AIFCHEM-94528971798 [0,2,0,0,0,0|1,1,0]=4 76 B12R1.15 CCC(=O)NC(C)c1cccs1 AIFCHEM-94528971797 [0,2,0,0,0,0|1,1,0]=4 77 B12R1.15 CCC(=O)N[C@@H](C)c1cccs1 AIFCHEM-94526505831 [0,2,0,0,0,0|1,1,0]=4 78 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 AIFCHEM-94526508113 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.15 CCC(=O)N[C@H](C)c1cccs1 AIFCHEM-94526504967 [0,2,0,0,0,0|1,1,0]=4 80 B12R1.15 C[C@@H](NC(=O)CO)c1cccs1 AIFCHEM-94532680172 [0,2,0,0,0,0|1,1,0]=4 81 B12R1.15 C[C@H](NC(=O)CO)c1cccs1 AIFCHEM-94532681036 [0,2,0,0,0,0|1,1,0]=4 82 B12R1.26 CCC(=O)NCc1cc(co1)Br AIFCHEM-94526504236 [0,2,0,0,0,0|1,0,0]=3 83 B12R1.26 CCC(=O)NCc1cc(no1)Br AIFCHEM-94596510046 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.26 Cc1cc(on1)CNC(=O)CO AIFCHEM-94532685025 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.26 O=C(CO)NCc1cc(co1)Br AIFCHEM-94532679441 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.26 O=C(CO)NCc1ccc(o1)Br AIFCHEM-94532678969 [0,2,0,0,0,0|1,0,0]=3 87 B12R1.51 CC#CC(=O)NCc1ccc[nH]1 AIFCHEM-5940171283 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.51 COCC(=O)NCc1cnco1 AIFCHEM-94607337210 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.51 CSCC(=O)NCc1ncco1 AIFCHEM-5951806166 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.51 O=C(CCO)NCc1cnco1 AIFCHEM-94607336259 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.108 CCC(=O)N(C)Cc1cccs1 AIFCHEM-94526508685 [0,2,0,0,0,0|1,1,0]=4 92 B12R1.298 CCN(Cc1ccco1)C(=O)C AIFCHEM-98288825964 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.298 CCN(Cc1cccs1)C(=O)C AIFCHEM-94605354462 [0,2,0,0,0,0|1,1,0]=4 94 B12R1.298 CCN(Cc1ccno1)C(=O)C AIFCHEM-99350814953 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.298 CCN(Cc1cnco1)C(=O)C AIFCHEM-94685481874 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.298 CCN(Cc1ncco1)C(=O)C AIFCHEM-94685246605 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.59 CC(=O)NCc1cc(cs1)C#N AIFCHEM-94535593555 [0,2,0,0,0,0|1,1,0]=4 98 B12R1.476 CCC(NC(=O)C)c1ccco1 AIFCHEM-94605350504 [0,2,0,0,0,0|1,0,0]=3 99 B12R2.6 O=C1C=C(CC1)c2cnco2 AIFCHEM-6331071127 [0,0,0,1,0,1|1,0,1]=4 100 B12R2.6 O=C1C=C(CC1)c2ncco2 AIFCHEM-6309213823 [0,0,0,1,0,1|1,0,1]=4 101 B12R2.20 FC1CC1NCc2ccco2 AIFCHEM-94597363839 [0,0,0,1,0,1|1,0,1]=4 102 B12R2.20 F[C@@H]1C[C@@H]1NCc2ccco2 AIFCHEM-94540080768 [0,0,0,1,0,1|1,0,1]=4 103 B12R2.20 F[C@@H]1C[C@H]1NCc2ccco2 AIFCHEM-94540077937 [0,0,0,1,0,1|1,0,1]=4 104 B12R2.20 F[C@H]1C[C@@H]1NCc2ccco2 AIFCHEM-94540081991 [0,0,0,1,0,1|1,0,1]=4 105 B12R2.20 F[C@H]1C[C@H]1NCc2ccco2 AIFCHEM-94540080769 [0,0,0,1,0,1|1,0,1]=4 106 B12R2.2383 c1coc(c1)CNCC2CC2 AIFCHEM-94557346397 [0,0,0,1,0,1|1,0,1]=4 107 B12R1.252 NC(=O)CNCc1cccnc1 AIFCHEM-94550118278 [0,0,0,0,0,2|2,0,0]=4 108 B12R1.252 NC(=O)CNCc1cnccn1 AIFCHEM-94550118789 [0,0,0,0,0,2|2,0,0]=4 109 B12R1.252 NC(=O)CNCc1ncccn1 AIFCHEM-94550117105 [0,0,0,0,0,2|2,0,0]=4 110 B12R1.252 O=C(O)CNCc1cccnc1 AIFCHEM-94542885083 [0,0,0,0,0,2|2,0,0]=4 111 B12R1.255 O=C(O)CCNCc1cccs1 AIFCHEM-5885864236 [0,0,0,0,0,2|1,1,0]=4