0 B17R2.2192 OCCN(Cc1ccco1)c2ccccc2 AIFCHEM-94540079043 [0,0,1,0,0,0|3,0,0]=4 1 B17R2.2192 OCCN(Cc1cscn1)c2ccccc2 AIFCHEM-6467650863 [0,0,1,0,0,0|2,0,0]=3 2 B17R2.2192 OCCN(Cc1nccs1)c2ccccc2 AIFCHEM-6444494578 [0,0,1,0,0,0|3,0,0]=4 3 B17R2.21294 CC(=O)N(Cc1cocn1)c2ccccc2 AIFCHEM-98288145474 [0,0,1,0,0,0|2,0,1]=4 4 B17R2.21294 CC(=O)N(Cc1cscn1)c2ccccc2 AIFCHEM-99353329112 [0,0,1,0,0,0|2,0,1]=4 5 B19R3.1761466 c1cc(ccn1)C(NCc2c[nH]cn2)C3CC3 AIFCHEM-94555643774 [0,0,0,0,0,1|2,0,0]=3 6 B19R3.1761466 c1ccc(cc1)C(NCc2cocn2)C3CC3 AIFCHEM-94553454300 [0,0,0,0,0,1|2,0,0]=3 7 B19R3.1761466 c1ccc(cc1)C(NCc2cscn2)C3CC3 AIFCHEM-94547317262 [0,0,0,0,0,1|2,0,0]=3 8 B19R3.1761466 c1ccc(cc1)[C@@H](NCc2cocn2)C3CC3 AIFCHEM-6164669357 [0,0,0,0,0,1|2,0,0]=3 9 B19R3.1761466 c1ccc(cc1)[C@@H](NCc2cscn2)C3CC3 AIFCHEM-6147558744 [0,0,0,0,0,1|2,0,0]=3 10 B19R3.1761466 c1ccc(cc1)[C@H](NCc2cocn2)C3CC3 AIFCHEM-94583892808 [0,0,0,0,0,1|2,0,0]=3 11 B19R3.1761466 c1ccc(cc1)[C@H](NCc2cscn2)C3CC3 AIFCHEM-94583895556 [0,0,0,0,0,1|2,0,0]=3 12 B16R2.685 CCN(Cc1cncs1)c2ccccc2 AIFCHEM-94562507139 [1,0,1,0,0,0|1,0,1]=4 13 B18R2.360 CCCN(Cc1ccco1)c2ccc(cc2)C AIFCHEM-94592954036 [0,1,1,0,0,0|2,0,0]=4 14 B18R2.360 CCCN(Cc1cccs1)c2ccc(cc2)C AIFCHEM-94569017165 [0,1,1,0,0,0|2,0,0]=4 15 B18R2.2097 Cc1nc(co1)CN(CCO)c2ccccc2 AIFCHEM-6439910673 [0,1,1,0,0,0|2,0,0]=4 16 B18R2.2097 Cc1nc(cs1)CN(CCO)c2ccccc2 AIFCHEM-6452979637 [0,1,1,0,0,0|2,0,0]=4 17 B18R2.2097 Cn1cc(nn1)CN(CCO)c2ccccc2 AIFCHEM-6444432372 [0,1,1,0,0,0|2,0,0]=4 18 B18R2.2097 OCCN(Cc1csc(n1)Br)c2ccccc2 AIFCHEM-6427436813 [0,1,1,0,0,0|2,0,0]=4 19 B18R2.2097 OCCN(Cc1csc(n1)Cl)c2ccccc2 AIFCHEM-6467768991 [0,1,1,0,0,0|2,0,0]=4 20 B18R2.14623 OCCCN(Cc1cccs1)c2ccccc2 AIFCHEM-6386827238 [0,1,1,0,0,0|2,0,0]=4 21 B18R2.21284 CCC(=O)N(Cc1cocn1)c2ccccc2 AIFCHEM-95157544440 [0,1,1,0,0,0|1,0,1]=4 22 B18R2.21284 CCC(=O)N(Cc1cscn1)c2ccccc2 AIFCHEM-95159825672 [0,1,1,0,0,0|1,0,1]=4 23 B18R2.29833 CC(=O)N(Cc1cn(cn1)C)c2ccccc2 AIFCHEM-98287752622 [0,1,1,0,0,0|1,0,1]=4 24 B18R2.29833 CC(C)N(Cc1ncc(s1)Cl)c2ccccc2 AIFCHEM-5723430215 [0,1,1,0,0,0|2,0,0]=4 25 B18R2.29833 Cc1cnc(s1)CN(c2ccccc2)C(C)C AIFCHEM-5723457455 [0,1,1,0,0,0|2,0,0]=4 26 B18R2.29833 Cc1ncc(s1)CN(c2ccccc2)C(C)C AIFCHEM-5750869407 [0,1,1,0,0,0|1,0,1]=4 27 B20R3.86805 Cc1ccc(o1)CN(Cc2ccccc2)C3CC3 AIFCHEM-6149725000 [0,1,0,0,0,1|2,0,0]=4 28 B20R3.86805 Cc1csc(c1)CN(Cc2ccccc2)C3CC3 AIFCHEM-6149653641 [0,1,0,0,0,1|2,0,0]=4 29 B20R3.86805 Oc1csc(c1)CN(Cc2ccccc2)C3CC3 AIFCHEM-94571791437 [0,1,0,0,0,1|2,0,0]=4 30 B20R3.102554 Brc1ccoc1CN(Cc2ccccc2)C3CC3 AIFCHEM-6149819659 [0,1,0,0,0,1|2,0,0]=4 31 B20R3.102554 Brc1cscc1CN(Cc2ccccc2)C3CC3 AIFCHEM-6160408556 [0,1,0,0,0,1|2,0,0]=4 32 B20R3.102554 Brc1sccc1CN(Cc2ccccc2)C3CC3 AIFCHEM-6150175418 [0,1,0,0,0,1|2,0,0]=4 33 B20R3.102554 Cc1cscc1CN(Cc2ccccc2)C3CC3 AIFCHEM-6159941049 [0,1,0,0,0,1|2,0,0]=4 34 B20R3.2788462 Brc1cccc(c1)CN(Cc2cccs2)C3CC3 AIFCHEM-6080016487 [0,1,0,0,0,1|2,0,0]=4 35 B20R3.2788462 Brc1cccc(c1)CN(Cc2ccsc2)C3CC3 AIFCHEM-6046354681 [0,1,0,0,0,1|2,0,0]=4 36 B20R3.2788462 Brc1cccc(c1)CN(Cc2cncs2)C3CC3 AIFCHEM-6046388654 [0,1,0,0,0,1|1,0,1]=4 37 B20R3.2788462 Clc1cccc(c1)CN(Cc2cncs2)C3CC3 AIFCHEM-5949604967 [0,1,0,0,0,1|1,0,1]=4 38 B20R3.2788462 Clc1cccc(c1)CN(Cc2ncco2)C3CC3 AIFCHEM-5963994041 [0,1,0,0,0,1|2,0,0]=4 39 B20R3.2866133 Brc1ccccc1CN(Cc2cc[nH]n2)C3CC3 AIFCHEM-94524670104 [0,1,0,0,0,1|2,0,0]=4 40 B20R3.2866133 Brc1ccccc1CN(Cc2ccoc2)C3CC3 AIFCHEM-5771557233 [0,1,0,0,0,1|2,0,0]=4 41 B20R3.2866133 Brc1ccccc1CN(Cc2cn[nH]c2)C3CC3 AIFCHEM-94528447273 [0,1,0,0,0,1|2,0,0]=4 42 B20R3.8559467 CC(c1cccnc1)N(Cc2cscn2)C3CC3 AIFCHEM-94546606386 [0,1,0,0,0,1|2,0,0]=4 43 B20R3.8559467 O=C(c1ccccc1)N(Cc2ccco2)C3CC3 AIFCHEM-96569483069 [0,1,0,0,0,1|2,0,0]=4 44 B20R3.8559467 O=C(c1ccccc1)N(Cc2cscn2)C3CC3 AIFCHEM-96568190187 [0,1,0,0,0,1|1,0,0]=3 45 B20R3.8559467 O=C(c1ccccc1)N(Cc2ncco2)C3CC3 AIFCHEM-96567984997 [0,1,0,0,0,1|2,0,0]=4 46 B20R3.8559467 O=C(c1ccccn1)N(Cc2cocn2)C3CC3 AIFCHEM-36181990439 [0,1,0,0,0,1|2,0,0]=4 47 B20R3.8559467 O=C(c1ccccn1)N(Cc2cscn2)C3CC3 AIFCHEM-100053778176 [0,1,0,0,0,1|2,0,0]=4 48 B20R3.8559467 O=C(c1cccnc1)N(Cc2cocn2)C3CC3 AIFCHEM-36013056952 [0,1,0,0,0,1|2,0,0]=4 49 B20R3.8559467 O=C(c1cccnc1)N(Cc2cscn2)C3CC3 AIFCHEM-96136236729 [0,1,0,0,0,1|2,0,0]=4 50 B20R3.8559467 O=C(c1ccncc1)N(Cc2cocn2)C3CC3 AIFCHEM-36764464881 [0,1,0,0,0,1|2,0,0]=4 51 B20R3.8559467 O=C(c1ccncc1)N(Cc2cscn2)C3CC3 AIFCHEM-99478214005 [0,1,0,0,0,1|2,0,0]=4 52 B20R3.552085 O=C(c1cocn1)N(CC2CC2)c3ccccc3 AIFCHEM-94753763889 [0,1,0,0,0,1|1,0,1]=4 53 B20R3.552085 O=C(c1cscn1)N(CC2CC2)c3ccccc3 AIFCHEM-98604187939 [0,1,0,0,0,1|1,0,1]=4 54 B20R3.1863648 O=C(C1CC1)N(Cc2ccco2)c3ccccc3 AIFCHEM-96994347787 [0,1,0,0,0,1|2,0,0]=4 55 B20R3.1863648 O=C(C1CC1)N(Cc2cccs2)c3ccccc3 AIFCHEM-96993824305 [0,1,0,0,0,1|2,0,0]=4 56 B20R3.1863648 O=C(C1CC1)N(Cc2ccoc2)c3ccccc3 AIFCHEM-96994245922 [0,1,0,0,0,1|2,0,0]=4 57 B20R3.1863648 O=C(C1CC1)N(Cc2ccsc2)c3ccccc3 AIFCHEM-96993898302 [0,1,0,0,0,1|2,0,0]=4 58 B20R3.1863648 O=C(C1CC1)N(Cc2cncs2)c3ccccc3 AIFCHEM-96993858389 [0,1,0,0,0,1|1,0,1]=4 59 B20R3.1863648 O=C(C1CC1)N(Cc2cocn2)c3ccccc3 AIFCHEM-96993982831 [0,1,0,0,0,1|1,0,0]=3 60 B20R3.1863648 O=C(C1CC1)N(Cc2cocn2)c3cccnc3 AIFCHEM-96994379812 [0,1,0,0,0,1|2,0,0]=4 61 B20R3.1863648 O=C(C1CC1)N(Cc2cscn2)c3ccccc3 AIFCHEM-96995929023 [0,1,0,0,0,1|1,0,0]=3 62 B20R3.1863648 O=C(C1CC1)N(Cc2cscn2)c3cccnc3 AIFCHEM-96995926171 [0,1,0,0,0,1|2,0,0]=4 63 B20R3.1863648 O=C(C1CC1)N(Cc2cscn2)c3ccncc3 AIFCHEM-96994380935 [0,1,0,0,0,1|2,0,0]=4 64 B20R3.1863648 O=C(C1CC1)N(Cc2ncco2)c3ccccc3 AIFCHEM-96994247248 [0,1,0,0,0,1|2,0,0]=4 65 B20R3.1863648 O=C(C1CC1)N(Cc2nccs2)c3ccccc3 AIFCHEM-96994028562 [0,1,0,0,0,1|2,0,0]=4 66 B20R3.2788727 Clc1cccc(c1)N(Cc2ccco2)CC3CC3 AIFCHEM-6230776851 [0,1,0,0,0,1|2,0,0]=4 67 B20R3.5823321 Cc1ccc(cc1)N(Cc2ccco2)CC3CC3 AIFCHEM-94592954768 [0,1,0,0,0,1|2,0,0]=4 68 B20R3.5823321 Cc1ccc(cc1)N(Cc2cccs2)CC3CC3 AIFCHEM-5933330403 [0,1,0,0,0,1|2,0,0]=4 69 B20R3.5823321 Clc1ccc(cc1)N(Cc2ncc[nH]2)CC3CC3 AIFCHEM-6097204294 [0,1,0,0,0,1|2,0,0]=4 70 B20R3.129512 Brc1[nH]cnc1CNC(c2ccccc2)C3CC3 AIFCHEM-5893429612 [0,1,0,0,0,1|1,0,0]=3 71 B20R3.129512 Brc1[nH]cnc1CNC(c2ccncc2)C3CC3 AIFCHEM-94555644819 [0,1,0,0,0,1|2,0,0]=4 72 B20R3.129512 Brc1[nH]cnc1CN[C@@H](c2ccccc2)C3CC3 AIFCHEM-94583896399 [0,1,0,0,0,1|1,0,0]=3 73 B20R3.129512 Brc1[nH]cnc1CN[C@H](c2ccccc2)C3CC3 AIFCHEM-6146390215 [0,1,0,0,0,1|1,0,0]=3 74 B20R3.129512 Brc1scnc1CNC(c2ccccc2)C3CC3 AIFCHEM-94547263475 [0,1,0,0,0,1|2,0,0]=4 75 B20R3.129512 Brc1scnc1CN[C@@H](c2ccccc2)C3CC3 AIFCHEM-94583898649 [0,1,0,0,0,1|2,0,0]=4 76 B20R3.129512 Brc1scnc1CN[C@H](c2ccccc2)C3CC3 AIFCHEM-6147576201 [0,1,0,0,0,1|2,0,0]=4 77 B20R3.129512 Cc1[nH]cnc1CNC(c2ccccn2)C3CC3 AIFCHEM-94542672135 [0,1,0,0,0,1|2,0,0]=4 78 B20R3.129512 Cc1[nH]cnc1CNC(c2cccnc2)C3CC3 AIFCHEM-5977554359 [0,1,0,0,0,1|2,0,0]=4 79 B20R3.2739530 Brc1cc(c[nH]1)CNC(c2ccccc2)C3CC3 AIFCHEM-94547263107 [0,1,0,0,0,1|2,0,0]=4 80 B20R3.2739530 Brc1cc(c[nH]1)CN[C@@H](c2ccccc2)C3CC3 AIFCHEM-94583898281 [0,1,0,0,0,1|2,0,0]=4 81 B20R3.2739530 Brc1cc(c[nH]1)CN[C@H](c2ccccc2)C3CC3 AIFCHEM-6124312871 [0,1,0,0,0,1|2,0,0]=4 82 B20R3.2739530 Cn1cc(nn1)CNC(c2ccccc2)C3CC3 AIFCHEM-5914898131 [0,1,0,0,0,1|2,0,0]=4 83 B20R3.2739530 Cn1cc(nn1)CN[C@@H](c2ccccc2)C3CC3 AIFCHEM-94583894025 [0,1,0,0,0,1|2,0,0]=4 84 B20R3.2739530 Cn1cc(nn1)CN[C@H](c2ccccc2)C3CC3 AIFCHEM-6180097550 [0,1,0,0,0,1|2,0,0]=4 85 B20R3.2739530 Cn1cnc(c1)CNC(c2ccccc2)C3CC3 AIFCHEM-5979545750 [0,1,0,0,0,1|1,0,0]=3 86 B20R3.2739530 Cn1cnc(c1)CN[C@@H](c2ccccc2)C3CC3 AIFCHEM-94583894114 [0,1,0,0,0,1|1,0,0]=3 87 B20R3.2739530 Cn1cnc(c1)CN[C@H](c2ccccc2)C3CC3 AIFCHEM-6180181605 [0,1,0,0,0,1|1,0,0]=3 88 B20R3.2788763 Brc1cccc(c1)C(NCc2cocn2)C3CC3 AIFCHEM-94545993454 [0,1,0,0,0,1|2,0,0]=4 89 B20R3.2864962 Cc1ccccc1C(NCc2cocn2)C3CC3 AIFCHEM-6080747657 [0,1,0,0,0,1|2,0,0]=4 90 B20R3.2864962 Oc1ccccc1C(NCc2cocn2)C3CC3 AIFCHEM-94553451869 [0,1,0,0,0,1|2,0,0]=4 91 B20R3.2864962 Oc1ccccc1C(NCc2cscn2)C3CC3 AIFCHEM-94547314831 [0,1,0,0,0,1|2,0,0]=4 92 B20R3.5821482 Brc1ccc(cc1)C(NCc2cc[nH]c2)C3CC3 AIFCHEM-5670561322 [0,1,0,0,0,1|2,0,0]=4 93 B20R3.5821482 Brc1ccc(cc1)C(NCc2cocn2)C3CC3 AIFCHEM-5637377680 [0,1,0,0,0,1|2,0,0]=4 94 B20R3.5821482 Clc1ccc(cn1)C(NCc2c[nH]cn2)C3CC3 AIFCHEM-94540592876 [0,1,0,0,0,1|2,0,0]=4 95 B20R3.5821482 Fc1ccc(cc1)C(NCc2cscn2)C3CC3 AIFCHEM-6025983249 [0,1,0,0,0,1|2,0,0]=4 96 B18R3.11 c1cc2c(cn1)CCCN2Cc3cocn3 AIFCHEM-6082103250 [0,0,1,1,0,0|2,0,0]=4 97 B18R3.11 c1ccc2c(c1)CCCN2Cc3cncs3 AIFCHEM-5854196671 [0,0,1,1,0,0|1,0,1]=4 98 B18R3.11 c1ccc2c(c1)CCCN2Cc3ncco3 AIFCHEM-5790711467 [0,0,1,1,0,0|2,0,0]=4 99 B18R3.618712 CC1CN(c2c1cccc2)Cc3cccs3 AIFCHEM-94519229862 [0,0,1,1,0,0|2,0,0]=4 100 B18R3.618712 CC1CN(c2c1cccc2)Cc3ncco3 AIFCHEM-5792107786 [0,0,1,1,0,0|2,0,0]=4 101 B18R3.6371 CC1Cc2ccccc2N1Cc3cn[nH]c3 AIFCHEM-94528444772 [0,0,1,1,0,0|2,0,0]=4 102 B18R3.6371 CC1Cc2ccccc2N1Cc3ncco3 AIFCHEM-5887575721 [0,0,1,1,0,0|2,0,0]=4 103 B20R4.39008538 c1ccc2c(c1)N(CC23CC3)Cc4nccs4 AIFCHEM-5794650800 [0,0,0,1,0,1|2,0,0]=4 104 B18R2.2114 CCCN(Cc1ccccc1)Cc2ccsc2 AIFCHEM-5810162034 [0,0,1,0,0,1|2,0,0]=4 105 B18R2.2114 CCCN(Cc1ccccc1)Cc2cncs2 AIFCHEM-5881990718 [0,0,1,0,0,1|1,0,1]=4 106 B18R2.2114 CCCN(Cc1ccccc1)Cc2cscn2 AIFCHEM-5882016813 [0,0,1,0,0,1|1,0,0]=3 107 B18R2.4111 CC(C)N(Cc1cccnc1)c2ccccc2 AIFCHEM-5704782832 [0,0,1,0,0,1|1,0,0]=3 108 B18R2.12689 CC(C)C(NCc1c[nH]cn1)c2ccccc2 AIFCHEM-94525126191 [0,0,1,0,0,1|1,0,0]=3 109 B18R2.12689 CC(C)C(NCc1cocn1)c2ccccc2 AIFCHEM-94525123645 [0,0,1,0,0,1|2,0,0]=4 110 B18R2.12689 CC(C)[C@@H](NCc1c[nH]cn1)c2ccccc2 AIFCHEM-94530698193 [0,0,1,0,0,1|1,0,0]=3 111 B18R2.12689 CC(C)[C@@H](NCc1cocn1)c2ccccc2 AIFCHEM-94530695647 [0,0,1,0,0,1|2,0,0]=4 112 B18R2.12689 CC(C)[C@H](NCc1c[nH]cn1)c2ccccc2 AIFCHEM-94528557351 [0,0,1,0,0,1|1,0,0]=3 113 B18R2.12689 CC(C)[C@H](NCc1cocn1)c2ccccc2 AIFCHEM-94528554805 [0,0,1,0,0,1|2,0,0]=4 114 B20R3.30219 c1ccc(cc1)CN(Cc2cnccn2)C3CC3 AIFCHEM-6167404543 [0,0,0,0,0,2|0,0,1]=3 115 B20R3.2028421 c1ccc(cc1)C(NCc2ccccn2)C3CC3 AIFCHEM-94547257443 [0,0,0,0,0,2|2,0,0]=4 116 B20R3.2028421 c1ccc(cc1)C(NCc2cccnc2)C3CC3 AIFCHEM-94547261176 [0,0,0,0,0,2|2,0,0]=4 117 B20R3.2028421 c1ccc(cc1)C(NCc2ccncn2)C3CC3 AIFCHEM-94547259788 [0,0,0,0,0,2|1,0,1]=4 118 B20R3.2028421 c1ccc(cc1)C(NCc2cnccn2)C3CC3 AIFCHEM-5891537991 [0,0,0,0,0,2|1,0,1]=4 119 B20R3.2028421 c1ccc(cc1)C(NCc2cncnc2)C3CC3 AIFCHEM-5891817927 [0,0,0,0,0,2|1,0,1]=4 120 B20R3.2028421 c1ccc(cc1)[C@@H](NCc2ccccn2)C3CC3 AIFCHEM-6124707235 [0,0,0,0,0,2|2,0,0]=4 121 B20R3.2028421 c1ccc(cc1)[C@@H](NCc2cccnc2)C3CC3 AIFCHEM-6148000236 [0,0,0,0,0,2|2,0,0]=4 122 B20R3.2028421 c1ccc(cc1)[C@@H](NCc2ccncn2)C3CC3 AIFCHEM-6180159001 [0,0,0,0,0,2|1,0,1]=4 123 B20R3.2028421 c1ccc(cc1)[C@@H](NCc2cncnc2)C3CC3 AIFCHEM-6124485894 [0,0,0,0,0,2|1,0,1]=4 124 B20R3.2028421 c1ccc(cc1)[C@H](NCc2ccccn2)C3CC3 AIFCHEM-94583892617 [0,0,0,0,0,2|2,0,0]=4 125 B20R3.2028421 c1ccc(cc1)[C@H](NCc2cccnc2)C3CC3 AIFCHEM-94583896350 [0,0,0,0,0,2|2,0,0]=4 126 B20R3.2028421 c1ccc(cc1)[C@H](NCc2ccncn2)C3CC3 AIFCHEM-94583894962 [0,0,0,0,0,2|1,0,1]=4 127 B20R3.2028421 c1ccc(cc1)[C@H](NCc2cnccn2)C3CC3 AIFCHEM-94583896861 [0,0,0,0,0,2|1,0,1]=4 128 B20R3.2028421 c1ccc(cc1)[C@H](NCc2cncnc2)C3CC3 AIFCHEM-94583892200 [0,0,0,0,0,2|1,0,1]=4 129 B20R3.2028564 c1ccc(cc1)CN(Cc2cc[nH]c2)C3COC3 AIFCHEM-94597935373 [0,0,0,0,0,2|1,0,0]=3 130 B20R3.2028564 c1ccc(cc1)CN(Cc2ccsc2)C3COC3 AIFCHEM-6159468195 [0,0,0,0,0,2|2,0,0]=4 131 B20R3.2028564 c1ccc(cc1)CN(Cc2cn[nH]c2)C3CCC3 AIFCHEM-94528433482 [0,0,0,0,0,2|2,0,0]=4 132 B20R3.2028564 c1ccc(cc1)CN(Cc2cn[nH]c2)C3COC3 AIFCHEM-94597933459 [0,0,0,0,0,2|2,0,0]=4 133 B20R3.2028564 c1ccc(cc1)CN(Cc2ncc[nH]2)C3COC3 AIFCHEM-94597929987 [0,0,0,0,0,2|2,0,0]=4 134 B20R3.2028588 c1ccc(cc1)C(NCc2cocn2)C3CCC3 AIFCHEM-94553455280 [0,0,0,0,0,2|2,0,0]=4 135 B20R3.2028588 c1ccc(cc1)[C@@H](NCc2cocn2)C3CCC3 AIFCHEM-5684470726 [0,0,0,0,0,2|2,0,0]=4 136 B20R3.2028588 c1ccc(cc1)[C@H](NCc2cocn2)C3CCC3 AIFCHEM-6125003993 [0,0,0,0,0,2|2,0,0]=4