0 B12R1.51 CC#CC(=O)NCc1ccc[nH]1 AIFCHEM-5940171283 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.51 CCCC(C)NCc1ccco1 AIFCHEM-94557345122 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.51 CCC[C@@H](C)NCc1ccco1 AIFCHEM-94540076933 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.51 CCC[C@H](C)NCc1ccco1 AIFCHEM-94540083968 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.51 COCC(=O)NCc1cnco1 AIFCHEM-94607337210 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.51 CSCC(=O)NCc1ncco1 AIFCHEM-5951806166 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.51 O=C(CCO)NCc1cnco1 AIFCHEM-94607336259 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.25 CCC(=O)NCc1cnco1 AIFCHEM-94526501982 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.25 CCC(=O)NCc1cncs1 AIFCHEM-94526501531 [1,0,0,0,0,0|2,1,0]=4 9 B11R1.25 O=C(CO)NCc1cnco1 AIFCHEM-94532677187 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.33 CSCC(=O)N[C@H](C)c1ccco1 AIFCHEM-6017474503 [0,1,0,0,0,0|3,0,0]=4 11 B13R1.41 CC#CC(=O)NCc1ccc(o1)C AIFCHEM-5675883361 [0,1,0,0,0,0|2,0,1]=4 12 B13R1.41 COCC(=O)NCc1ccc(o1)C AIFCHEM-5612932757 [0,1,0,0,0,0|3,0,0]=4 13 B13R1.66 CN(Cc1ccco1)C(=O)CCO AIFCHEM-94537407947 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.66 COCC(=O)N(C)Cc1ccco1 AIFCHEM-94537408898 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.153 C#CCCC(=O)NCc1ccco1 AIFCHEM-94594837788 [0,1,0,0,0,0|2,0,1]=4 16 B13R1.153 C#CCNC(=O)CCc1cccs1 AIFCHEM-6220591360 [0,1,0,0,0,0|1,1,1]=4 17 B13R1.153 CCC#CC(=O)NCc1cnco1 AIFCHEM-94607337006 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.153 CCCCC(=O)NCc1cccs1 AIFCHEM-94534109467 [0,1,0,0,0,0|2,1,0]=4 19 B13R1.153 CCCNC(=O)CCc1ccsc1 AIFCHEM-5791203907 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.153 CCCNC(=O)CCc1cnc[nH]1 AIFCHEM-5875525529 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.153 CCOCC(=O)NCc1ccc[nH]1 AIFCHEM-5933873976 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.153 CCOCC(=O)NCc1cncs1 AIFCHEM-94571867938 [0,1,0,0,0,0|2,1,0]=4 23 B13R1.153 CCSCC(=O)NCc1cnco1 AIFCHEM-94607337223 [0,1,0,0,0,0|2,1,0]=4 24 B13R1.153 COCCC(=O)NCc1ccco1 AIFCHEM-94557356038 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.153 CSCCC(=O)NCc1ccco1 AIFCHEM-94557358980 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.153 CSCCC(=O)NCc1cccs1 AIFCHEM-94562648759 [0,1,0,0,0,0|2,1,0]=4 27 B13R1.153 N#CCCC(=O)NCc1ccco1 AIFCHEM-94594833192 [0,1,0,0,0,0|2,0,1]=4 28 B13R1.554 CCC(C)C(=O)NCc1cnco1 AIFCHEM-94607330624 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.554 CCC(O)C(=O)NCc1ccco1 AIFCHEM-94594837730 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.554 CCC(O)C(=O)NCc1cccs1 AIFCHEM-94562648430 [0,1,0,0,0,0|2,1,0]=4 31 B13R1.554 CCN(C)C(=O)CCc1cccs1 AIFCHEM-94563268513 [0,1,0,0,0,0|1,1,0]=3 32 B13R1.554 CCN(C)C(=O)CCc1ccsc1 AIFCHEM-94563264123 [0,1,0,0,0,0|3,0,0]=4 33 B13R1.554 CC[C@@H](C)C(=O)NCc1cnco1 AIFCHEM-94607335024 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.554 CC[C@@H](O)C(=O)NCc1ccco1 AIFCHEM-94594834174 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.554 CC[C@@H](O)C(=O)NCc1cccs1 AIFCHEM-94562644874 [0,1,0,0,0,0|2,1,0]=4 36 B13R1.554 CC[C@H](C)C(=O)NCc1cnco1 AIFCHEM-94607332813 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.554 CC[C@H](O)C(=O)NCc1ccco1 AIFCHEM-94557356773 [0,1,0,0,0,0|2,0,0]=3 38 B13R1.554 CC[C@H](O)C(=O)NCc1cccs1 AIFCHEM-94562646552 [0,1,0,0,0,0|2,1,0]=4 39 B13R1.593 CC(C)CC(=O)NCc1ccno1 AIFCHEM-5891332684 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.593 CC(C)NC(=O)CCc1c[nH]cn1 AIFCHEM-94520543353 [0,1,0,0,0,0|3,0,0]=4 41 B13R1.593 CC(C)NC(=O)CCc1nccs1 AIFCHEM-94520545124 [0,1,0,0,0,0|2,1,0]=4 42 B13R1.593 CC(O)CC(=O)NCc1cccs1 AIFCHEM-94562646244 [0,1,0,0,0,0|2,1,0]=4 43 B13R1.593 C[C@@H](O)CC(=O)NCc1cccs1 AIFCHEM-94562648606 [0,1,0,0,0,0|2,1,0]=4 44 B13R1.593 C[C@H](O)CC(=O)NCc1cccs1 AIFCHEM-94562648545 [0,1,0,0,0,0|2,1,0]=4 45 B13R1.593 O=C(CC(F)F)NCc1ccco1 AIFCHEM-94594833055 [0,1,0,0,0,0|3,0,0]=4 46 B13R2.6970 O=C(NCc1cccs1)C2CC2 AIFCHEM-94562644272 [0,0,0,1,0,0|2,1,0]=4 47 B13R1.404 CCNC(=O)CNCc1nccs1 AIFCHEM-5868773951 [0,0,0,0,0,1|2,1,0]=4 48 B13R1.404 CCOC(=O)CNCc1ccco1 AIFCHEM-94540089204 [0,0,0,0,0,1|0,0,0]=1 49 B13R1.404 CCOC(=O)CNCc1ccsc1 AIFCHEM-5592841645 [0,0,0,0,0,1|2,0,0]=3 50 B13R1.404 CCOC(=O)CNCc1nccs1 AIFCHEM-5616477810 [0,0,0,0,0,1|1,1,0]=3 51 B10R1.21 CCOC=Cc1cccs1 AIFCHEM-6452818854 [2,0,0,0,0,0|0,1,1]=4 52 B10R1.66 CC(=O)NCc1ccc[nH]1 AIFCHEM-94605343937 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.66 CC(=O)NCc1cccs1 AIFCHEM-6123944273 [2,0,0,0,0,0|1,1,0]=4 54 B12R1.37 CCOCCNCc1cnco1 AIFCHEM-94548603036 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.15 CCC(=O)NC(C)c1cccs1 AIFCHEM-94528971797 [1,1,0,0,0,0|1,1,0]=4 56 B12R1.15 CCC(=O)N[C@@H](C)c1cccs1 AIFCHEM-94526505831 [1,1,0,0,0,0|1,1,0]=4 57 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 AIFCHEM-94526508113 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.15 CCC(=O)N[C@H](C)c1cccs1 AIFCHEM-94526504967 [1,1,0,0,0,0|1,1,0]=4 59 B12R1.26 CCC(=O)NCc1cc(co1)Br AIFCHEM-94526504236 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.26 CCC(=O)NCc1cc(no1)Br AIFCHEM-94596510046 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.26 O=C(CO)NCc1cc(co1)Br AIFCHEM-94532679441 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.26 O=C(CO)NCc1ccc(o1)Br AIFCHEM-94532678969 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.108 CCC(=O)N(C)Cc1cccs1 AIFCHEM-94526508685 [1,1,0,0,0,0|1,1,0]=4 64 B12R1.264 CC(C)C(=O)NCc1ccco1 AIFCHEM-94594838836 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.264 CC(C)C(=O)NCc1cccs1 AIFCHEM-94562649536 [1,1,0,0,0,0|1,1,0]=4 66 B12R1.264 CC(C)C(=O)NCc1ncco1 AIFCHEM-94545040841 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.260 CC(C)NC(=O)Cc1ccc[nH]1 AIFCHEM-94520551225 [0,1,0,0,1,0|2,0,0]=4 68 B14R1.156 CCOCC(=O)NCc1ccncc1 AIFCHEM-5854853117 [0,1,0,0,0,1|2,0,0]=4 69 B14R1.177 CCCNC(=O)CCCc1cccs1 AIFCHEM-94521378475 [0,1,0,0,0,1|1,1,0]=4 70 B14R1.177 CCCOC(=O)CNCc1ccco1 AIFCHEM-94602835896 [0,1,0,0,0,1|0,0,0]=2 71 B14R1.177 CCCOC(=O)CNCc1ccoc1 AIFCHEM-94602833444 [0,1,0,0,0,1|2,0,0]=4 72 B14R1.177 CCCOC(=O)CNCc1ncco1 AIFCHEM-94602834418 [0,1,0,0,0,1|1,0,0]=3 73 B14R1.177 CCOCC(=O)NCCc1cc[nH]n1 AIFCHEM-6205821503 [0,1,0,0,0,1|2,0,0]=4 74 B14R1.177 CCOCC(=O)NCCn1cccn1 AIFCHEM-5997570957 [0,1,0,0,0,1|2,0,0]=4 75 B14R1.177 O=C(CCCc1cccs1)NCCF AIFCHEM-5827854287 [0,1,0,0,0,1|1,1,0]=4 76 B14R1.177 O=C(CNCc1ccco1)NCCF AIFCHEM-94540082616 [0,1,0,0,0,1|1,0,0]=3 77 B14R1.519 CCNC(=O)CNCc1cc(cs1)Br AIFCHEM-5868865956 [0,1,0,0,0,1|1,1,0]=4 78 B14R1.519 CCNC(=O)CNCc1cc(cs1)O AIFCHEM-94571800528 [0,1,0,0,0,1|1,1,0]=4 79 B14R1.519 CCOC(=O)CNCc1cc(co1)Br AIFCHEM-5616514149 [0,1,0,0,0,1|0,0,0]=2 80 B14R1.519 CCOC(=O)CNCc1cc(cs1)C AIFCHEM-5643686729 [0,1,0,0,0,1|0,1,0]=3 81 B14R1.519 CCOC(=O)CNCc1ccc(o1)Br AIFCHEM-5663308703 [0,1,0,0,0,1|0,0,0]=2 82 B14R1.519 CCOC(=O)CNCc1csc(n1)C AIFCHEM-5655291688 [0,1,0,0,0,1|2,0,0]=4 83 B14R1.621 CCOC(=O)CN(C)Cc1ccco1 AIFCHEM-94540087986 [0,1,0,0,0,1|0,0,0]=2 84 B14R1.621 CCOC(=O)CN(C)Cc1cnco1 AIFCHEM-5811604408 [0,1,0,0,0,1|1,0,0]=3 85 B14R1.633 CCNC(=O)[C@H](C)NCc1ccco1 AIFCHEM-94540090271 [0,1,0,0,0,1|1,0,0]=3 86 B14R1.633 CCOC(=O)C(C)CNc1ncco1 AIFCHEM-6282649461 [0,1,0,0,0,1|1,0,0]=3 87 B14R1.633 CCOC(=O)[C@@H](C)NCc1ccoc1 AIFCHEM-6175115992 [0,1,0,0,0,1|2,0,0]=4 88 B14R1.633 CCSC(=O)[C@H](C)NCc1ccco1 AIFCHEM-94540081151 [0,1,0,0,0,1|0,1,0]=3 89 B14R1.633 CCSC(=O)[C@H](C)NCc1cccs1 AIFCHEM-5769246368 [0,1,0,0,0,1|0,2,0]=4 90 B14R1.633 CCSC(=O)[C@H](C)NCc1ncco1 AIFCHEM-5785988669 [0,1,0,0,0,1|1,1,0]=4 91 B14R1.137 CSCCC(=O)N[C@H](C)c1ccco1 AIFCHEM-6022274758 [0,2,0,0,0,0|2,0,0]=4 92 B14R1.720 CCC(O)C(=O)N[C@H](C)c1ccco1 AIFCHEM-6041967847 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.720 CC[C@@H](O)C(=O)N[C@H](C)c1ccco1 AIFCHEM-6041367665 [0,2,0,0,0,0|2,0,0]=4 94 B14R1.155 CCC#CC(=O)NCc1ccc(o1)C AIFCHEM-5676067702 [0,2,0,0,0,0|2,0,0]=4 95 B14R1.155 CCOCC(=O)NCc1cc(co1)Br AIFCHEM-5833606577 [0,2,0,0,0,0|1,0,0]=3 96 B14R1.155 CCOCC(=O)NCc1cc(no1)Br AIFCHEM-94596509129 [0,2,0,0,0,0|2,0,0]=4 97 B14R1.155 CCOCC(=O)NCc1ccc(s1)C AIFCHEM-5723911285 [0,2,0,0,0,0|1,1,0]=4 98 B14R1.755 CCC(O)C(=O)NCc1ccc(o1)C AIFCHEM-5676231177 [0,2,0,0,0,0|2,0,0]=4 99 B14R1.755 CCN(C)C(=O)CCc1ccc(o1)C AIFCHEM-94563263644 [0,2,0,0,0,0|1,0,0]=3 100 B14R1.755 CC[C@@H](O)C(=O)NCc1ccc(o1)C AIFCHEM-5596915597 [0,2,0,0,0,0|2,0,0]=4 101 B14R1.755 CC[C@H](C)C(=O)NCc1cc(co1)Br AIFCHEM-5883014401 [0,2,0,0,0,0|2,0,0]=4 102 B14R1.4262 CC(C)CC(=O)NCc1cc(co1)Br AIFCHEM-5866330686 [0,2,0,0,0,0|2,0,0]=4 103 B14R1.4262 Cc1ccc(o1)CCC(=O)NC(C)C AIFCHEM-94520545172 [0,2,0,0,0,0|1,0,0]=3 104 B14R1.454 CCOCC(=O)N(C)Cc1cccs1 AIFCHEM-94565045486 [0,2,0,0,0,0|1,1,0]=4 105 B14R1.86 C#CCCNC(=O)CCc1ccc[nH]1 AIFCHEM-94541768657 [0,2,0,0,0,0|2,0,0]=4 106 B14R1.86 CCCCNC(=O)CCc1cccs1 AIFCHEM-94570983121 [0,2,0,0,0,0|1,1,0]=4 107 B14R1.588 C#CC(C)NC(=O)CCc1cccs1 AIFCHEM-5786701690 [0,2,0,0,0,0|1,1,0]=4 108 B14R1.588 C#C[C@H](C)NC(=O)CCc1cccs1 AIFCHEM-6073812512 [0,2,0,0,0,0|1,1,0]=4 109 B14R1.588 CCC(C)CC(=O)NCc1ccco1 AIFCHEM-94594830901 [0,2,0,0,0,0|2,0,0]=4 110 B14R1.588 CC[C@H](C)CC(=O)NCc1ccco1 AIFCHEM-94557354430 [0,2,0,0,0,0|2,0,0]=4 111 B14R1.916 CCOCC(=O)NCc1sccc1Br AIFCHEM-5597429181 [0,2,0,0,0,0|1,1,0]=4 112 B14R1.4526 CC(C)OCC(=O)NCc1cnco1 AIFCHEM-94607335155 [0,2,0,0,0,0|2,0,0]=4 113 B14R1.4526 O=C(CCc1ccco1)NCC(F)F AIFCHEM-5988860651 [0,2,0,0,0,0|1,0,0]=3 114 B14R1.987 CCN(C)C(=O)CCc1cccn1C AIFCHEM-94563269083 [0,2,0,0,0,0|2,0,0]=4 115 B14R1.322 CCC(C)(C)C(=O)NCc1ccco1 AIFCHEM-94594837694 [0,2,0,0,0,0|2,0,0]=4 116 B14R1.9400 CC(C)(Br)CC(=O)NCc1ccco1 AIFCHEM-94557358504 [0,2,0,0,0,0|2,0,0]=4 117 B14R1.9400 CC(C)(C)CC(=O)NCc1ccco1 AIFCHEM-94594830973 [0,2,0,0,0,0|2,0,0]=4 118 B14R2.384 O=C1OCCC1NCc2ccco2 AIFCHEM-94548317201 [0,0,0,1,0,1|0,0,0]=2 119 B14R2.384 O=C1OCC[C@@H]1NCc2ccco2 AIFCHEM-94552942380 [0,0,0,1,0,1|0,0,0]=2 120 B14R2.384 O=C1OCC[C@H]1NCc2ccco2 AIFCHEM-94540077268 [0,0,0,1,0,1|0,0,0]=2 121 B14R2.716 O=C1CN(CCN1)Cc2cccs2 AIFCHEM-5681994647 [0,0,0,1,0,1|1,1,0]=4 122 B14R2.716 O=C1CN(CCN1)Cc2ncco2 AIFCHEM-5680710244 [0,0,0,1,0,1|2,0,0]=4 123 B14R2.716 O=C1CN(CCO1)Cc2ccsc2 AIFCHEM-5885422083 [0,0,0,1,0,1|2,0,0]=4 124 B14R2.716 OC1CN(CCO1)Cc2ccco2 AIFCHEM-94540091056 [0,0,0,1,0,1|0,0,2]=4 125 B14R2.13184 O=C(CC1CC1)NCc2ccco2 AIFCHEM-94557358073 [0,1,0,1,0,0|2,0,0]=4 126 B14R2.13184 O=C(CCc1ccc[nH]1)NC2CC2 AIFCHEM-6133740602 [0,1,0,1,0,0|2,0,0]=4 127 B14R2.13184 O=C(CCc1ccco1)NC2CC2 AIFCHEM-6133651478 [0,1,0,1,0,0|1,0,0]=3 128 B14R2.13184 O=C(CCc1cccs1)NC2CC2 AIFCHEM-6110414650 [0,1,0,1,0,0|1,1,0]=4 129 B14R2.40225 O=C(NCc1ccc[nH]1)C2CCO2 AIFCHEM-5950472298 [0,1,0,1,0,0|2,0,0]=4 130 B14R2.40225 O=C(NCc1ccc[nH]1)[C@@H]2CCO2 AIFCHEM-5978230925 [0,1,0,1,0,0|2,0,0]=4 131 B14R2.40225 O=C(NCc1ccno1)C2CCO2 AIFCHEM-5979363130 [0,1,0,1,0,0|2,0,0]=4 132 B14R2.40225 O=C(NCc1ccno1)[C@@H]2CCO2 AIFCHEM-5914633032 [0,1,0,1,0,0|2,0,0]=4 133 B14R2.13183 CC1(CC1)C(=O)NCc2ccco2 AIFCHEM-94557359227 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.27 CCC(=O)Nc1ncco1 AIFCHEM-94526507592 [1,0,0,0,1,0|2,0,0]=4 135 B10R1.27 CCN(C)Cc1ccco1 AIFCHEM-94537421946 [1,0,0,0,1,0|2,0,0]=4 136 B14R1.520 CCNC(=O)CNCc1cnccn1 AIFCHEM-5844944741 [0,0,0,0,0,2|2,0,0]=4 137 B14R1.520 CCOC(=O)CNCc1ccncn1 AIFCHEM-5643676024 [0,0,0,0,0,2|1,0,0]=3 138 B14R1.520 CCOC(=O)CNCc1cnccn1 AIFCHEM-5593319234 [0,0,0,0,0,2|1,0,0]=3 139 B14R1.520 CCOC(=O)CNCc1ncccn1 AIFCHEM-5593123893 [0,0,0,0,0,2|1,0,0]=3 140 B14R1.609 CCOC(=O)CCNCc1ccco1 AIFCHEM-94540087097 [0,0,0,0,0,2|0,0,0]=2 141 B14R1.609 CCOC(=O)CCNCc1cnco1 AIFCHEM-6037044859 [0,0,0,0,0,2|1,0,0]=3 142 B14R1.609 CCOC(=O)CCNCc1nccs1 AIFCHEM-6056448090 [0,0,0,0,0,2|1,1,0]=4