0 B16R2.685 CCN(Cc1cncs1)c2ccccc2 AIFCHEM-94562507139 [0,0,0,0,0,0|1,0,0]=1 1 B15R2.1259 CN(Cc1ccoc1)c2ccncc2 AIFCHEM-5803310380 [1,0,0,0,0,0|3,0,0]=4 2 B15R2.1259 CN(Cc1cn[nH]c1)c2ccccc2 AIFCHEM-94528431505 [1,0,0,0,0,0|2,0,0]=3 3 B15R2.1259 CN(Cc1cncs1)c2cccnc2 AIFCHEM-6149386323 [1,0,0,0,0,0|2,0,0]=3 4 B15R2.1259 CN(Cc1cncs1)c2ccncc2 AIFCHEM-5871826534 [1,0,0,0,0,0|2,0,0]=3 5 B15R2.1259 CN(Cc1cscn1)c2cccnc2 AIFCHEM-6179878436 [1,0,0,0,0,0|2,0,1]=4 6 B17R2.164 CCN(Cc1ccco1)c2ccc(cc2)C AIFCHEM-94537420081 [0,1,0,0,0,0|2,0,0]=3 7 B17R2.164 CCN(Cc1cccs1)c2ccc(cc2)C AIFCHEM-94537420082 [0,1,0,0,0,0|2,0,0]=3 8 B17R2.2192 OCCN(Cc1ccco1)c2ccccc2 AIFCHEM-94540079043 [0,1,0,0,0,0|2,0,0]=3 9 B17R2.2192 OCCN(Cc1cscn1)c2ccccc2 AIFCHEM-6467650863 [0,1,0,0,0,0|1,0,1]=3 10 B17R2.2192 OCCN(Cc1nccs1)c2ccccc2 AIFCHEM-6444494578 [0,1,0,0,0,0|2,0,1]=4 11 B17R2.2293 CCN(C(=O)c1ccc[nH]1)c2ccccc2 AIFCHEM-94562521212 [0,1,0,0,0,0|1,0,1]=3 12 B17R2.2293 CCN(C(=O)c1ccsc1)c2ccccc2 AIFCHEM-94562522577 [0,1,0,0,0,0|2,0,1]=4 13 B17R2.2293 CCN(C(=O)c1cocn1)c2ccccc2 AIFCHEM-94562518026 [0,1,0,0,0,0|1,0,2]=4 14 B17R2.6039 CCN(Cc1cc([nH]n1)C)c2ccccc2 AIFCHEM-94562510465 [0,1,0,0,0,0|2,0,1]=4 15 B17R2.6039 CCN(Cc1cc(cs1)Cl)c2ccccc2 AIFCHEM-94562511803 [0,1,0,0,0,0|2,0,0]=3 16 B17R2.6039 CCN(Cc1cn(cn1)C)c2ccccc2 AIFCHEM-94562509081 [0,1,0,0,0,0|0,0,2]=3 17 B17R2.6039 CCN(Cc1cnn(c1)C)c2ccccc2 AIFCHEM-94562509993 [0,1,0,0,0,0|2,0,0]=3 18 B17R2.6039 CCN(Cc1coc(n1)Br)c2cccnc2 AIFCHEM-94571037818 [0,1,0,0,0,0|2,0,1]=4 19 B17R2.6039 CCN(Cc1csc(c1)Br)c2ccccc2 AIFCHEM-94562509314 [0,1,0,0,0,0|2,0,0]=3 20 B17R2.6046 CCN(Cc1cccs1)c2cccc(c2)C AIFCHEM-94529782587 [0,1,0,0,0,0|2,0,0]=3 21 B17R2.6057 CCN(Cc1sccc1Cl)c2ccccc2 AIFCHEM-94562512383 [0,1,0,0,0,0|2,0,0]=3 22 B17R2.21294 CC(=O)N(Cc1ccco1)c2ccccc2 AIFCHEM-98288891290 [0,1,0,0,0,0|2,0,1]=4 23 B17R2.21294 CC(=O)N(Cc1cccs1)c2ccccc2 AIFCHEM-98287761728 [0,1,0,0,0,0|2,0,1]=4 24 B17R2.21294 CC(=O)N(Cc1ccoc1)c2ccccc2 AIFCHEM-98288652585 [0,1,0,0,0,0|2,0,1]=4 25 B17R2.21294 CC(=O)N(Cc1ccsc1)c2ccccc2 AIFCHEM-98287902545 [0,1,0,0,0,0|2,0,1]=4 26 B17R2.21294 CC(=O)N(Cc1cnco1)c2cccnc2 AIFCHEM-99350913616 [0,1,0,0,0,0|2,0,1]=4 27 B17R2.21294 CC(=O)N(Cc1cncs1)c2ccccc2 AIFCHEM-99350221398 [0,1,0,0,0,0|1,0,1]=3 28 B17R2.21294 CC(=O)N(Cc1cncs1)c2cccnc2 AIFCHEM-99353341947 [0,1,0,0,0,0|2,0,1]=4 29 B17R2.21294 CC(=O)N(Cc1cocn1)c2ccccc2 AIFCHEM-98288145474 [0,1,0,0,0,0|1,0,2]=4 30 B17R2.21294 CC(=O)N(Cc1cscn1)c2ccccc2 AIFCHEM-99353329112 [0,1,0,0,0,0|1,0,2]=4 31 B17R2.48520 CCN(Cc1cccs1)c2ccccc2C AIFCHEM-6049015062 [0,1,0,0,0,0|2,0,0]=3 32 B17R2.48520 CCN(Cc1cccs1)c2ccccc2I AIFCHEM-94537411682 [0,1,0,0,0,0|2,0,0]=3 33 B17R2.48520 CCN(Cc1nccs1)c2ccccc2C AIFCHEM-6080496325 [0,1,0,0,0,0|2,0,1]=4 34 B17R3.2681 c1cc2c(cn1)CCN2Cc3cncs3 AIFCHEM-94551705322 [0,0,0,1,0,0|2,0,0]=3 35 B17R3.2681 c1cc2c(cn1)N(CC2)Cc3cncs3 AIFCHEM-94573862543 [0,0,0,1,0,0|2,0,0]=3 36 B17R3.2681 c1cc2c(cn1)N(CC2)Cc3cscn3 AIFCHEM-94573865927 [0,0,0,1,0,0|2,0,1]=4 37 B17R3.2681 c1ccc2c(c1)CCN2Cc3cncs3 AIFCHEM-5882792930 [0,0,0,1,0,0|1,0,0]=2 38 B17R3.2681 c1ccc2c(c1)CCN2Cc3cocn3 AIFCHEM-5875512340 [0,0,0,1,0,0|1,0,1]=3 39 B17R3.2681 c1cnc2c(c1)N(CC2)Cc3cn[nH]c3 AIFCHEM-94559675363 [0,0,0,1,0,0|3,0,0]=4 40 B17R3.2681 c1cnc2c(c1)N(CC2)Cc3cscn3 AIFCHEM-6163739415 [0,0,0,1,0,0|2,0,1]=4 41 B17R3.2681 c1coc(c1)CN2CCc3c2cccc3 AIFCHEM-94540087595 [0,0,0,1,0,0|2,0,0]=3 42 B17R3.2681 c1coc(c1)CN2CCc3c2cncc3 AIFCHEM-94540090722 [0,0,0,1,0,0|3,0,0]=4 43 B17R3.2681 c1csc(c1)CN2CCc3c2cccn3 AIFCHEM-6147481964 [0,0,0,1,0,0|3,0,0]=4 44 B17R2.162 CCN(Cc1ncccn1)c2ccccc2 AIFCHEM-94562510144 [0,0,0,0,0,1|1,0,1]=3 45 B17R2.6053 CCN(Cc1cccnc1)Cc2cscn2 AIFCHEM-5795120956 [0,0,0,0,0,1|2,0,1]=4 46 B17R2.6053 CCN(Cc1ccncc1)Cc2cn[nH]c2 AIFCHEM-94528440707 [0,0,0,0,0,1|3,0,0]=4 47 B17R2.6053 CCN(Cc1ccncc1)Cc2cncs2 AIFCHEM-5661607212 [0,0,0,0,0,1|2,0,0]=3 48 B17R2.17880 CCC(CNc1ccn[nH]1)c2ccccc2 AIFCHEM-5914742185 [0,0,0,0,0,1|3,0,0]=4 49 B17R2.17880 CCC(CNc1cn[nH]c1)c2ccccc2 AIFCHEM-94572256574 [0,0,0,0,0,1|3,0,0]=4 50 B17R2.17880 CCC(NCc1cnco1)c2ccncc2 AIFCHEM-5635100649 [0,0,0,0,0,1|3,0,0]=4 51 B17R2.17880 CCC(NCc1cncs1)c2cccnc2 AIFCHEM-5834038988 [0,0,0,0,0,1|3,0,0]=4 52 B17R2.17880 CC[C@@H](NCc1ccsc1)c2ccccc2 AIFCHEM-5802322259 [0,0,0,0,0,1|3,0,0]=4 53 B17R2.17880 CC[C@H](NCc1ccsc1)c2ccccc2 AIFCHEM-5613128215 [0,0,0,0,0,1|3,0,0]=4 54 B17R2.17880 OCC(NCc1cnco1)c2ccccc2 AIFCHEM-6445290630 [0,0,0,0,0,1|3,0,0]=4 55 B17R2.17880 OC[C@@H](NCc1cnco1)c2ccccc2 AIFCHEM-94566640222 [0,0,0,0,0,1|3,0,0]=4 56 B17R2.17880 OC[C@H](NCc1cnco1)c2ccccc2 AIFCHEM-6454449715 [0,0,0,0,0,1|3,0,0]=4 57 B14R2.101 c1ccc(cc1)NCc2c[nH]cn2 AIFCHEM-94577025161 [2,0,0,0,0,0|0,0,2]=4 58 B14R2.101 c1ccc(cc1)NCc2cccs2 AIFCHEM-94552038343 [2,0,0,0,0,0|2,0,0]=4 59 B14R2.101 c1ccc(cc1)NCc2cncs2 AIFCHEM-94577021979 [2,0,0,0,0,0|1,0,0]=3 60 B16R2.125 CN(Cc1ccco1)c2ccc(cc2)Br AIFCHEM-94540090006 [1,1,0,0,0,0|2,0,0]=4 61 B16R2.125 CN(Cc1ccco1)c2ccc(cc2)I AIFCHEM-94540088987 [1,1,0,0,0,0|2,0,0]=4 62 B16R2.125 CN(Cc1ccoc1)c2ccc(cc2)Cl AIFCHEM-5675391846 [1,1,0,0,0,0|2,0,0]=4 63 B16R2.125 CN(Cc1ccoc1)c2ccc(cc2)F AIFCHEM-5823836435 [1,1,0,0,0,0|2,0,0]=4 64 B16R2.125 CN(Cc1ccoc1)c2ccc(cc2)O AIFCHEM-94520566320 [1,1,0,0,0,0|2,0,0]=4 65 B16R2.125 CN(Cc1cn[nH]c1)c2ccc(cc2)Br AIFCHEM-94528444810 [1,1,0,0,0,0|2,0,0]=4 66 B16R2.125 CN(Cc1cn[nH]c1)c2ccc(cc2)Cl AIFCHEM-94528447599 [1,1,0,0,0,0|2,0,0]=4 67 B16R2.125 CN(Cc1cnco1)c2ccc(cc2)Cl AIFCHEM-5640763502 [1,1,0,0,0,0|1,0,0]=3 68 B16R2.125 CN(Cc1cnco1)c2ccc(nc2)F AIFCHEM-6473636359 [1,1,0,0,0,0|2,0,0]=4 69 B16R2.125 CN(Cc1cncs1)c2ccc(cc2)F AIFCHEM-5841589577 [1,1,0,0,0,0|1,0,0]=3 70 B16R2.125 CN(Cc1cncs1)c2ccc(cc2)I AIFCHEM-94568449324 [1,1,0,0,0,0|1,0,0]=3 71 B16R2.125 CN(Cc1cncs1)c2ccc(cc2)O AIFCHEM-94520562153 [1,1,0,0,0,0|1,0,0]=3 72 B16R2.125 CN(Cc1cncs1)c2ccc(nc2)Br AIFCHEM-6429090433 [1,1,0,0,0,0|2,0,0]=4 73 B16R2.125 CN(Cc1cocn1)c2ccc(cc2)F AIFCHEM-5803582660 [1,1,0,0,0,0|1,0,1]=4 74 B16R2.125 CN(Cc1cocn1)c2ccc(cc2)O AIFCHEM-5791470925 [1,1,0,0,0,0|1,0,1]=4 75 B16R2.125 CN(Cc1cscn1)c2ccc(cc2)O AIFCHEM-94550845137 [1,1,0,0,0,0|1,0,1]=4 76 B16R2.125 Cc1ccc(cc1)N(C)Cc2ccco2 AIFCHEM-94540089203 [1,1,0,0,0,0|2,0,0]=4 77 B16R2.125 Cc1ccc(cc1)N(C)Cc2cn[nH]c2 AIFCHEM-94528444007 [1,1,0,0,0,0|2,0,0]=4 78 B16R2.125 Cc1ccc(cn1)N(C)Cc2cnco2 AIFCHEM-5897433950 [1,1,0,0,0,0|2,0,0]=4 79 B16R2.243 CN(Cc1ccco1)c2cccc(c2)Br AIFCHEM-94597171261 [1,1,0,0,0,0|2,0,0]=4 80 B16R2.243 CN(Cc1ccco1)c2cccc(c2)Cl AIFCHEM-94540090135 [1,1,0,0,0,0|2,0,0]=4 81 B16R2.243 CN(Cc1cnco1)c2cccc(c2)Cl AIFCHEM-6140873220 [1,1,0,0,0,0|1,0,0]=3 82 B16R2.243 CN(Cc1cnco1)c2cccc(c2)O AIFCHEM-5749398510 [1,1,0,0,0,0|1,0,0]=3 83 B16R2.243 CN(Cc1cnco1)c2cncc(c2)Br AIFCHEM-5705402318 [1,1,0,0,0,0|2,0,0]=4 84 B16R2.2829 CN(Cc1c[nH]c(c1)Br)c2ccccc2 AIFCHEM-94545181334 [1,1,0,0,0,0|1,0,1]=4 85 B16R2.2829 CN(Cc1cc(co1)Br)c2ccccc2 AIFCHEM-94545177781 [1,1,0,0,0,0|2,0,0]=4 86 B16R2.2829 CN(Cc1cc(cs1)O)c2ccccc2 AIFCHEM-94571788061 [1,1,0,0,0,0|2,0,0]=4 87 B16R2.2829 CN(Cc1cc(no1)Br)c2ccccc2 AIFCHEM-94545177823 [1,1,0,0,0,0|2,0,0]=4 88 B16R2.2829 CN(Cc1cn(cn1)C)c2ccccc2 AIFCHEM-94545177167 [1,1,0,0,0,0|0,0,2]=4 89 B16R2.2829 CN(Cc1cnc(s1)Br)c2cccnc2 AIFCHEM-6149051005 [1,1,0,0,0,0|2,0,0]=4 90 B16R2.2829 CN(Cc1cnc(s1)Cl)c2cccnc2 AIFCHEM-6149324992 [1,1,0,0,0,0|2,0,0]=4 91 B16R2.2829 CN(Cc1csc(c1)Br)c2ccccc2 AIFCHEM-94545177400 [1,1,0,0,0,0|2,0,0]=4 92 B16R2.2829 CN(Cc1csc(n1)Cl)c2ccccc2 AIFCHEM-94545179513 [1,1,0,0,0,0|1,0,1]=4 93 B16R2.2829 Cc1ccc(o1)CN(C)c2ccccc2 AIFCHEM-94545180174 [1,1,0,0,0,0|2,0,0]=4 94 B16R2.2829 Cc1csc(c1)CN(C)c2ccccc2 AIFCHEM-94545180059 [1,1,0,0,0,0|2,0,0]=4 95 B16R2.2829 Cc1nc(cs1)CN(C)c2ccccc2 AIFCHEM-94545177689 [1,1,0,0,0,0|1,0,1]=4 96 B16R2.2965 CN(Cc1ccoc1)c2ccccc2O AIFCHEM-6186257896 [1,1,0,0,0,0|2,0,0]=4 97 B16R2.2965 CN(Cc1cnco1)c2ccccc2O AIFCHEM-6110419074 [1,1,0,0,0,0|1,0,0]=3 98 B16R2.2965 Cc1ccccc1N(C)Cc2cscn2 AIFCHEM-94586629000 [1,1,0,0,0,0|1,0,1]=4 99 B16R2.3014 CN(Cc1ccsc1Br)c2ccccc2 AIFCHEM-94545177378 [1,1,0,0,0,0|2,0,0]=4 100 B16R2.3014 CN(Cc1ncsc1Br)c2ccccc2 AIFCHEM-94545181702 [1,1,0,0,0,0|1,0,1]=4 101 B16R2.3014 CN(Cc1occc1Br)c2ccccc2 AIFCHEM-94545176772 [1,1,0,0,0,0|2,0,0]=4 102 B16R2.3014 Cc1cscc1CN(C)c2ccccc2 AIFCHEM-94545180859 [1,1,0,0,0,0|2,0,0]=4 103 B16R2.3014 Cc1ncsc1CN(C)c2ccccc2 AIFCHEM-94545181020 [1,1,0,0,0,0|1,0,0]=3 104 B18R2.198 CCN(Cc1ccccn1)c2cccc(c2)C AIFCHEM-94529776412 [0,1,0,0,0,1|1,0,1]=4 105 B18R2.198 CCN(Cc1cccnn1)c2cccc(c2)C AIFCHEM-94529780796 [0,1,0,0,0,1|1,0,1]=4 106 B18R2.198 CCN(Cc1ccncc1)c2cccc(c2)C AIFCHEM-94529782011 [0,1,0,0,0,1|1,0,0]=3 107 B18R2.2315 CCN(C(=O)c1ccncc1)c2ccccc2 AIFCHEM-94562520605 [0,1,0,0,0,1|1,0,1]=4 108 B18R2.2315 CCN(C(=O)c1cncnc1)c2ccccc2 AIFCHEM-94562519922 [0,1,0,0,0,1|0,0,2]=4 109 B18R2.4111 CC(=O)N(Cc1cccnc1)c2ccccc2 AIFCHEM-98287781139 [0,1,0,0,0,1|1,0,1]=4 110 B18R2.4111 CC(=O)N(Cc1ccncc1)c2ccccc2 AIFCHEM-94685392133 [0,1,0,0,0,1|1,0,1]=4 111 B18R2.4111 CC(=O)N(Cc1ccncn1)c2ccccc2 AIFCHEM-99350842250 [0,1,0,0,0,1|0,0,2]=4 112 B18R2.4111 CC(=O)N(Cc1cnccn1)c2ccccc2 AIFCHEM-99350474269 [0,1,0,0,0,1|0,0,2]=4 113 B18R2.4111 CC(C)N(Cc1cccnc1)c2ccccc2 AIFCHEM-5704782832 [0,1,0,0,0,1|1,0,0]=3 114 B18R2.7792 CCN(Cc1ncccn1)c2ccccc2C AIFCHEM-6004134063 [0,1,0,0,0,1|1,0,1]=4 115 B18R2.7801 CCN(Cc1ccc(cc1)Br)c2ccccc2 AIFCHEM-94562507590 [0,1,0,0,0,1|2,0,0]=4 116 B18R2.7801 CCN(Cc1ccc(cc1)I)c2ccccc2 AIFCHEM-94562508757 [0,1,0,0,0,1|2,0,0]=4 117 B18R2.7801 CCN(Cc1cnc(cn1)C)c2ccccc2 AIFCHEM-94562511373 [0,1,0,0,0,1|0,0,1]=3 118 B18R2.7801 CCN(Cc1cnc(nc1)Cl)c2ccccc2 AIFCHEM-94562513607 [0,1,0,0,0,1|0,0,1]=3 119 B18R2.7815 CCN(Cc1cc(ccn1)Br)c2ccccc2 AIFCHEM-94562508271 [0,1,0,0,0,1|1,0,1]=4 120 B18R2.7815 CCN(Cc1cccc(n1)Br)c2ccccc2 AIFCHEM-94562510553 [0,1,0,0,0,1|1,0,1]=4 121 B18R2.7815 CCN(Cc1cccc(n1)F)c2ccccc2 AIFCHEM-94562509576 [0,1,0,0,0,1|1,0,1]=4 122 B18R2.7815 CCN(Cc1ccnc(c1)O)c2ccccc2 AIFCHEM-94562509319 [0,1,0,0,0,1|1,0,0]=3 123 B18R2.7815 CCN(Cc1ccnc(n1)C)c2ccccc2 AIFCHEM-94562507154 [0,1,0,0,0,1|0,0,1]=3 124 B18R2.7815 CCN(Cc1cncc(c1)Br)c2ccccc2 AIFCHEM-94562507618 [0,1,0,0,0,1|1,0,0]=3 125 B18R2.7815 CCN(Cc1cncc(c1)Cl)c2ccccc2 AIFCHEM-94562507619 [0,1,0,0,0,1|1,0,0]=3 126 B18R2.7815 CCN(Cc1cncc(c1)F)c2ccccc2 AIFCHEM-94562510906 [0,1,0,0,0,1|1,0,0]=3 127 B18R2.7830 CCN(Cc1ccccc1F)c2ccccc2 AIFCHEM-94562511137 [0,1,0,0,0,1|2,0,0]=4 128 B18R2.7830 CCN(Cc1ccccc1O)c2ccccc2 AIFCHEM-94532455701 [0,1,0,0,0,1|2,0,0]=4 129 B18R2.7830 CCN(Cc1cccnc1C)c2ccccc2 AIFCHEM-94562511960 [0,1,0,0,0,1|1,0,0]=3 130 B18R2.7830 CCN(Cc1cccnc1F)c2ccccc2 AIFCHEM-94562510723 [0,1,0,0,0,1|1,0,0]=3 131 B18R2.7830 CCN(Cc1ccncc1F)c2ccccc2 AIFCHEM-94562510941 [0,1,0,0,0,1|1,0,0]=3 132 B18R2.7830 CCN(Cc1cnccc1O)c2ccccc2 AIFCHEM-94562513377 [0,1,0,0,0,1|1,0,0]=3 133 B18R2.2114 CCCN(Cc1ccccc1)Cc2ccsc2 AIFCHEM-5810162034 [0,1,0,0,0,1|2,0,0]=4 134 B18R2.2114 CCCN(Cc1ccccc1)Cc2cncs2 AIFCHEM-5881990718 [0,1,0,0,0,1|1,0,0]=3 135 B18R2.2114 CCCN(Cc1ccccc1)Cc2cscn2 AIFCHEM-5882016813 [0,1,0,0,0,1|1,0,1]=4 136 B18R2.2114 OCCN(Cc1ccccc1)Cc2cn[nH]c2 AIFCHEM-94528432039 [0,1,0,0,0,1|2,0,0]=4 137 B18R2.2114 OCCN(Cc1ccccc1)Cc2cncs2 AIFCHEM-6409356309 [0,1,0,0,0,1|1,0,0]=3 138 B18R2.7794 CCN(Cc1ccccc1)Cc2cscc2Br AIFCHEM-5590781329 [0,1,0,0,0,1|2,0,0]=4 139 B18R2.7794 CCN(Cc1ccccc1)Cc2sccc2Cl AIFCHEM-5647339341 [0,1,0,0,0,1|2,0,0]=4 140 B18R2.7794 CCN(Cc1cccnc1)Cc2scnc2Cl AIFCHEM-5795903872 [0,1,0,0,0,1|2,0,0]=4 141 B18R2.7794 CCN(Cc1ccncc1)Cc2scnc2Cl AIFCHEM-5661541874 [0,1,0,0,0,1|2,0,0]=4 142 B18R2.7819 CCN(Cc1ccc(cc1)Br)Cc2cccs2 AIFCHEM-5654316571 [0,1,0,0,0,1|2,0,0]=4 143 B18R2.7819 CCN(Cc1ccc(cc1)Br)Cc2ccoc2 AIFCHEM-5606362545 [0,1,0,0,0,1|2,0,0]=4 144 B18R2.7819 CCN(Cc1ccc(cc1)Br)Cc2cnco2 AIFCHEM-5669982029 [0,1,0,0,0,1|1,0,0]=3 145 B18R2.7819 CCN(Cc1ccc(cc1)Br)Cc2cscn2 AIFCHEM-5669817210 [0,1,0,0,0,1|1,0,1]=4 146 B18R2.7819 CCN(Cc1ccc(cc1)C)Cc2cccs2 AIFCHEM-94525204225 [0,1,0,0,0,1|2,0,0]=4 147 B18R2.7819 CCN(Cc1ccc(cc1)Cl)Cc2c[nH]cn2 AIFCHEM-94549924725 [0,1,0,0,0,1|0,0,2]=4 148 B18R2.7819 CCN(Cc1ccc(cc1)Cl)Cc2cncs2 AIFCHEM-94549921543 [0,1,0,0,0,1|1,0,0]=3 149 B18R2.7819 CCN(Cc1ccc(cc1)Cl)Cc2cocn2 AIFCHEM-94549922179 [0,1,0,0,0,1|1,0,1]=4 150 B18R2.7819 CCN(Cc1ccc(cc1)F)Cc2ccoc2 AIFCHEM-5865408206 [0,1,0,0,0,1|2,0,0]=4 151 B18R2.7819 CCN(Cc1ccc(cc1)F)Cc2cn[nH]c2 AIFCHEM-94528436695 [0,1,0,0,0,1|2,0,0]=4 152 B18R2.7819 CCN(Cc1ccc(cc1)F)Cc2cnco2 AIFCHEM-5874972850 [0,1,0,0,0,1|1,0,0]=3 153 B18R2.7819 CCN(Cc1ccc(cc1)F)Cc2cocn2 AIFCHEM-5865505867 [0,1,0,0,0,1|1,0,1]=4 154 B18R2.7819 CCN(Cc1ccc(cc1)O)Cc2ccsc2 AIFCHEM-6090712353 [0,1,0,0,0,1|2,0,0]=4 155 B18R2.7819 CCN(Cc1ccc(cc1)O)Cc2cocn2 AIFCHEM-6163137887 [0,1,0,0,0,1|1,0,1]=4 156 B18R2.7828 CCN(Cc1ccccc1)C(=O)c2cnn[nH]2 AIFCHEM-94607198123 [0,1,0,0,0,1|1,0,1]=4 157 B18R2.7832 CCN(Cc1ccccc1)Cc2cc(cs2)O AIFCHEM-94571792356 [0,1,0,0,0,1|2,0,0]=4 158 B18R2.7832 CCN(Cc1ccccc1)Cc2ccc(o2)Cl AIFCHEM-5662100854 [0,1,0,0,0,1|2,0,0]=4 159 B18R2.7832 CCN(Cc1ccccc1)Cc2cnc(o2)C AIFCHEM-5647485118 [0,1,0,0,0,1|1,0,0]=3 160 B18R2.7832 CCN(Cc1ccccc1)Cc2cnn(c2)C AIFCHEM-5590437147 [0,1,0,0,0,1|2,0,0]=4 161 B18R2.7832 CCN(Cc1ccccc1)Cc2coc(n2)Br AIFCHEM-94571033053 [0,1,0,0,0,1|1,0,1]=4 162 B18R2.7832 CCN(Cc1ccccc1)Cc2coc(n2)C AIFCHEM-5661525968 [0,1,0,0,0,1|1,0,1]=4 163 B18R2.7832 CCN(Cc1ccccc1)Cc2csc(n2)C AIFCHEM-5590459194 [0,1,0,0,0,1|1,0,1]=4 164 B18R2.7838 CCN(Cc1ccco1)C(=O)c2ccccc2 AIFCHEM-96568343234 [0,1,0,0,0,1|2,0,0]=4 165 B18R2.7838 CCN(Cc1ccno1)C(=O)c2ccccc2 AIFCHEM-96568272057 [0,1,0,0,0,1|2,0,0]=4 166 B18R2.7838 CCN(Cc1ccoc1)C(=O)c2ccccc2 AIFCHEM-96568192115 [0,1,0,0,0,1|2,0,0]=4 167 B18R2.7838 CCN(Cc1ccsc1)C(=O)c2ccccc2 AIFCHEM-96568250992 [0,1,0,0,0,1|2,0,0]=4 168 B18R2.7838 CCN(Cc1cnco1)C(=O)c2ccccc2 AIFCHEM-96568285955 [0,1,0,0,0,1|1,0,0]=3 169 B18R2.7838 CCN(Cc1cnco1)C(=O)c2ccccn2 AIFCHEM-100053897464 [0,1,0,0,0,1|2,0,0]=4 170 B18R2.7838 CCN(Cc1cnco1)C(=O)c2cccnc2 AIFCHEM-96136332497 [0,1,0,0,0,1|2,0,0]=4 171 B18R2.7838 CCN(Cc1cnco1)C(=O)c2ccncc2 AIFCHEM-99478435753 [0,1,0,0,0,1|2,0,0]=4 172 B18R2.7838 CCN(Cc1cncs1)C(=O)c2ccccc2 AIFCHEM-96568028252 [0,1,0,0,0,1|1,0,0]=3 173 B18R2.7838 CCN(Cc1cncs1)C(=O)c2ccccn2 AIFCHEM-100053616241 [0,1,0,0,0,1|2,0,0]=4 174 B18R2.7838 CCN(Cc1cncs1)C(=O)c2cccnc2 AIFCHEM-96136061474 [0,1,0,0,0,1|2,0,0]=4 175 B18R2.7838 CCN(Cc1cncs1)C(=O)c2ccncc2 AIFCHEM-99477833530 [0,1,0,0,0,1|2,0,0]=4 176 B18R2.7838 CCN(Cc1cnoc1)C(=O)c2ccccc2 AIFCHEM-96568224764 [0,1,0,0,0,1|2,0,0]=4 177 B18R2.7838 CCN(Cc1cocn1)C(=O)c2ccccc2 AIFCHEM-96567968991 [0,1,0,0,0,1|1,0,1]=4 178 B18R2.7838 CCN(Cc1cscn1)C(=O)c2ccccc2 AIFCHEM-96568302830 [0,1,0,0,0,1|1,0,1]=4 179 B18R2.7848 CCN(Cc1cccc(c1)Cl)Cc2cnco2 AIFCHEM-94605407169 [0,1,0,0,0,1|1,0,0]=3 180 B18R2.7848 CCN(Cc1cccc(c1)Cl)Cc2cscn2 AIFCHEM-94605409916 [0,1,0,0,0,1|1,0,1]=4 181 B18R2.7848 CCN(Cc1cccc(c1)F)Cc2cocn2 AIFCHEM-5644836988 [0,1,0,0,0,1|1,0,1]=4 182 B18R2.7848 CCN(Cc1ccoc1)Cc2cccc(c2)Cl AIFCHEM-94605410699 [0,1,0,0,0,1|2,0,0]=4 183 B18R2.7848 CCN(Cc1ccoc1)Cc2cccc(c2)F AIFCHEM-5594708084 [0,1,0,0,0,1|2,0,0]=4 184 B18R2.7848 CCN(Cc1cn[nH]c1)Cc2cccc(c2)Br AIFCHEM-94528447193 [0,1,0,0,0,1|2,0,0]=4 185 B18R2.7848 CCN(Cc1cn[nH]c1)Cc2cccc(c2)Cl AIFCHEM-94528447189 [0,1,0,0,0,1|2,0,0]=4 186 B18R2.7848 CCN(Cc1cn[nH]c1)Cc2cccc(c2)O AIFCHEM-94528447331 [0,1,0,0,0,1|2,0,0]=4 187 B18R2.33880 CC(=O)N(Cc1ccccc1)Cc2cnco2 AIFCHEM-35985259944 [0,1,0,0,0,1|1,0,1]=4 188 B18R2.33880 CC(=O)N(Cc1ccccc1)Cc2cncs2 AIFCHEM-40382484932 [0,1,0,0,0,1|1,0,1]=4 189 B18R2.78977 CCN(Cc1cc[nH]c1)Cc2ccccc2O AIFCHEM-94547437810 [0,1,0,0,0,1|1,0,1]=4 190 B18R2.78977 CCN(Cc1ccco1)Cc2ccccc2O AIFCHEM-94540077564 [0,1,0,0,0,1|2,0,0]=4 191 B18R2.78977 CCN(Cc1cccs1)Cc2ccccc2C AIFCHEM-94525209314 [0,1,0,0,0,1|2,0,0]=4 192 B18R2.78977 CCN(Cc1cccs1)Cc2ccccc2O AIFCHEM-94532467298 [0,1,0,0,0,1|2,0,0]=4 193 B18R2.78977 CCN(Cc1ccoc1)Cc2ccccc2O AIFCHEM-94547436541 [0,1,0,0,0,1|2,0,0]=4 194 B18R2.78977 CCN(Cc1ccsc1)Cc2ccccc2O AIFCHEM-94547436542 [0,1,0,0,0,1|2,0,0]=4 195 B18R2.78977 CCN(Cc1cn[nH]c1)Cc2ccccc2O AIFCHEM-94528432368 [0,1,0,0,0,1|2,0,0]=4 196 B18R2.78977 CCN(Cc1cnco1)Cc2ccccc2O AIFCHEM-94547433011 [0,1,0,0,0,1|1,0,0]=3 197 B18R2.78977 CCN(Cc1cncs1)Cc2ccccc2O AIFCHEM-94547432374 [0,1,0,0,0,1|1,0,0]=3 198 B18R2.78977 CCN(Cc1cocn1)Cc2ccccc2O AIFCHEM-94547433010 [0,1,0,0,0,1|1,0,1]=4 199 B18R2.78977 CCN(Cc1cscn1)Cc2ccccc2O AIFCHEM-94547435758 [0,1,0,0,0,1|1,0,1]=4 200 B18R2.78977 CCN(Cc1ncc[nH]1)Cc2ccccc2O AIFCHEM-94547432424 [0,1,0,0,0,1|2,0,0]=4 201 B18R2.2319 CCN(C(=O)Cc1ccc[nH]1)c2ccccc2 AIFCHEM-94593327217 [0,1,0,0,0,1|1,0,0]=3 202 B18R2.14840 OCCC(NCc1cncs1)c2ccccc2 AIFCHEM-6449117361 [0,1,0,0,0,1|2,0,0]=4 203 B18R2.14840 OCC[C@@H](NCc1cncs1)c2ccccc2 AIFCHEM-6458868083 [0,1,0,0,0,1|2,0,0]=4 204 B18R2.14840 OCC[C@H](NCc1cncs1)c2ccccc2 AIFCHEM-6471696503 [0,1,0,0,0,1|2,0,0]=4 205 B18R2.28251 CCC(CNc1cnc(s1)C)c2ccccc2 AIFCHEM-5895800123 [0,1,0,0,0,1|2,0,0]=4 206 B18R2.28251 CCC(CNc1nnc([nH]1)C)c2ccccc2 AIFCHEM-94602282842 [0,1,0,0,0,1|2,0,0]=4 207 B18R2.28251 CCC(NCc1cnc([nH]1)C)c2cccnc2 AIFCHEM-94568588728 [0,1,0,0,0,1|2,0,0]=4 208 B18R2.28251 CCC(NCc1cnc([nH]1)C)c2ccncc2 AIFCHEM-5636044096 [0,1,0,0,0,1|2,0,0]=4 209 B18R2.28251 CC[C@@H](NCc1cnc([nH]1)C)c2ccccc2 AIFCHEM-5803999006 [0,1,0,0,0,1|1,0,0]=3 210 B18R2.28251 CC[C@@H](NCc1cnc(s1)Br)c2ccccc2 AIFCHEM-5798071921 [0,1,0,0,0,1|2,0,0]=4 211 B18R2.28251 CC[C@H](NCc1cnc([nH]1)C)c2ccccc2 AIFCHEM-5613409510 [0,1,0,0,0,1|1,0,0]=3 212 B18R2.28251 CC[C@H](NCc1cnc(s1)Br)c2ccccc2 AIFCHEM-5660291156 [0,1,0,0,0,1|2,0,0]=4 213 B18R2.28254 CCC(NCc1cnco1)c2cccc(c2)F AIFCHEM-6019813959 [0,1,0,0,0,1|2,0,0]=4 214 B18R2.28254 CCC(NCc1cncs1)c2cccc(c2)Br AIFCHEM-94571856238 [0,1,0,0,0,1|2,0,0]=4 215 B18R2.28254 CC[C@@H](NCc1cncs1)c2cccc(c2)Br AIFCHEM-5855922133 [0,1,0,0,0,1|2,0,0]=4 216 B18R2.28254 CC[C@H](NCc1cncs1)c2cccc(c2)Br AIFCHEM-5667228222 [0,1,0,0,0,1|2,0,0]=4 217 B18R2.127036 CC[C@@H](NCc1cccn1C)c2ccccc2 AIFCHEM-5798110924 [0,1,0,0,0,1|2,0,0]=4 218 B18R2.127036 CC[C@@H](NCc1scnc1C)c2ccccc2 AIFCHEM-5820935966 [0,1,0,0,0,1|2,0,0]=4 219 B18R2.127036 CC[C@H](NCc1cccn1C)c2ccccc2 AIFCHEM-5590417892 [0,1,0,0,0,1|2,0,0]=4 220 B18R2.127036 CC[C@H](NCc1scnc1C)c2ccccc2 AIFCHEM-5667938574 [0,1,0,0,0,1|2,0,0]=4 221 B18R2.251288 CCC(NCc1cnco1)c2ccccc2C AIFCHEM-5715303358 [0,1,0,0,0,1|2,0,0]=4 222 B18R2.251288 CCC(NCc1cncs1)c2ccccc2O AIFCHEM-94580370147 [0,1,0,0,0,1|2,0,0]=4 223 B18R2.251288 CC[C@H](NCc1cncs1)c2ccccc2F AIFCHEM-94519914929 [0,1,0,0,0,1|2,0,0]=4 224 B18R2.360 CCCN(Cc1ccco1)c2ccc(cc2)C AIFCHEM-94592954036 [0,2,0,0,0,0|2,0,0]=4 225 B18R2.360 CCCN(Cc1cccs1)c2ccc(cc2)C AIFCHEM-94569017165 [0,2,0,0,0,0|2,0,0]=4 226 B18R2.2274 CCN(C(=O)c1cnco1)c2ccc(cc2)Br AIFCHEM-98448824158 [0,2,0,0,0,0|1,0,1]=4 227 B18R2.78653 CCN(Cc1ccco1)c2ccc(c(c2)C)C AIFCHEM-94568685347 [0,2,0,0,0,0|2,0,0]=4 228 B18R2.78653 CCN(Cc1cccs1)c2ccc(c(c2)C)C AIFCHEM-94568685348 [0,2,0,0,0,0|2,0,0]=4 229 B18R2.78653 CCN(Cc1ccoc1)c2ccc(c(c2)C)C AIFCHEM-94568682895 [0,2,0,0,0,0|2,0,0]=4 230 B18R2.78653 CCN(Cc1ccsc1)c2ccc(c(c2)C)C AIFCHEM-94568682896 [0,2,0,0,0,0|2,0,0]=4 231 B18R2.78653 CCN(Cc1cnco1)c2ccc(c(c2)C)C AIFCHEM-94568679365 [0,2,0,0,0,0|1,0,0]=3 232 B18R2.78653 CCN(Cc1cncs1)c2ccc(c(c2)C)C AIFCHEM-94568678728 [0,2,0,0,0,0|1,0,0]=3 233 B18R2.78653 CCN(Cc1cocn1)c2ccc(c(c2)C)C AIFCHEM-94568679364 [0,2,0,0,0,0|1,0,1]=4 234 B18R2.78653 CCN(Cc1cscn1)c2ccc(c(c2)C)C AIFCHEM-94568682112 [0,2,0,0,0,0|1,0,1]=4 235 B18R2.92911 CC(=O)N(Cc1cnco1)c2ccc(cc2)Br AIFCHEM-99350946409 [0,2,0,0,0,0|1,0,1]=4 236 B18R2.92911 CC(=O)N(Cc1cncs1)c2ccc(cc2)Br AIFCHEM-98288827775 [0,2,0,0,0,0|1,0,1]=4 237 B18R2.92911 CC(=O)N(Cc1cncs1)c2ccc(cc2)C AIFCHEM-99350700725 [0,2,0,0,0,0|1,0,1]=4 238 B18R2.2097 Cc1ccc(o1)CN(CCO)c2ccccc2 AIFCHEM-6443423814 [0,2,0,0,0,0|2,0,0]=4 239 B18R2.2097 Cc1csc(c1)CN(CCO)c2ccccc2 AIFCHEM-6443500048 [0,2,0,0,0,0|2,0,0]=4 240 B18R2.2097 Cc1nc(co1)CN(CCO)c2ccccc2 AIFCHEM-6439910673 [0,2,0,0,0,0|1,0,1]=4 241 B18R2.2097 Cc1nc(cs1)CN(CCO)c2ccccc2 AIFCHEM-6452979637 [0,2,0,0,0,0|1,0,1]=4 242 B18R2.2097 Cc1ncc(o1)CN(CCO)c2ccccc2 AIFCHEM-6443318362 [0,2,0,0,0,0|1,0,0]=3 243 B18R2.2097 OCCN(Cc1cc(co1)Br)c2ccccc2 AIFCHEM-6427235801 [0,2,0,0,0,0|2,0,0]=4 244 B18R2.2097 OCCN(Cc1cc(cs1)Br)c2ccccc2 AIFCHEM-6443193539 [0,2,0,0,0,0|2,0,0]=4 245 B18R2.2097 OCCN(Cc1cnc(s1)Cl)c2ccccc2 AIFCHEM-6467799815 [0,2,0,0,0,0|1,0,0]=3 246 B18R2.2097 OCCN(Cc1csc(n1)Br)c2ccccc2 AIFCHEM-6427436813 [0,2,0,0,0,0|1,0,1]=4 247 B18R2.2097 OCCN(Cc1csc(n1)Cl)c2ccccc2 AIFCHEM-6467768991 [0,2,0,0,0,0|1,0,1]=4 248 B18R2.2120 Cc1ccsc1CN(CCO)c2ccccc2 AIFCHEM-6443559342 [0,2,0,0,0,0|2,0,0]=4 249 B18R2.2120 Cc1cscc1CN(CCO)c2ccccc2 AIFCHEM-6452558037 [0,2,0,0,0,0|2,0,0]=4 250 B18R2.2120 Cc1ncsc1CN(CCO)c2ccccc2 AIFCHEM-6427291587 [0,2,0,0,0,0|1,0,0]=3 251 B18R2.2120 OCCN(Cc1ccsc1Cl)c2ccccc2 AIFCHEM-6467879468 [0,2,0,0,0,0|2,0,0]=4 252 B18R2.2120 OCCN(Cc1sccc1Br)c2ccccc2 AIFCHEM-6439963443 [0,2,0,0,0,0|2,0,0]=4 253 B18R2.14623 OCCCN(Cc1cccs1)c2ccccc2 AIFCHEM-6386827238 [0,2,0,0,0,0|2,0,0]=4 254 B18R2.21284 CCC(=O)N(Cc1ccco1)c2ccccc2 AIFCHEM-95157836296 [0,2,0,0,0,0|2,0,0]=4 255 B18R2.21284 CCC(=O)N(Cc1cccs1)c2ccccc2 AIFCHEM-95157410154 [0,2,0,0,0,0|2,0,0]=4 256 B18R2.21284 CCC(=O)N(Cc1ccoc1)c2ccccc2 AIFCHEM-95157734431 [0,2,0,0,0,0|2,0,0]=4 257 B18R2.21284 CCC(=O)N(Cc1ccsc1)c2ccccc2 AIFCHEM-95157459911 [0,2,0,0,0,0|2,0,0]=4 258 B18R2.21284 CCC(=O)N(Cc1cncs1)c2ccccc2 AIFCHEM-95157419998 [0,2,0,0,0,0|1,0,0]=3 259 B18R2.21284 CCC(=O)N(Cc1cocn1)c2ccccc2 AIFCHEM-95157544440 [0,2,0,0,0,0|1,0,1]=4 260 B18R2.21284 CCC(=O)N(Cc1cscn1)c2ccccc2 AIFCHEM-95159825672 [0,2,0,0,0,0|1,0,1]=4 261 B18R2.21284 O=C(CO)N(Cc1cncs1)c2ccccc2 AIFCHEM-97888252834 [0,2,0,0,0,0|1,0,1]=4 262 B18R2.2301 CCN(C(=O)c1ccc[nH]1)c2cccc(c2)C AIFCHEM-94529790040 [0,2,0,0,0,0|1,0,1]=4 263 B18R2.2301 CCN(C(=O)c1cnco1)c2cccc(c2)Br AIFCHEM-98448927332 [0,2,0,0,0,0|1,0,1]=4 264 B18R2.10795 CCN(C(=O)c1cnnn1C)c2ccccc2 AIFCHEM-94562521665 [0,2,0,0,0,0|1,0,1]=4 265 B18R2.10795 CCN(C(=O)c1scnc1C)c2ccccc2 AIFCHEM-94562517554 [0,2,0,0,0,0|1,0,1]=4 266 B18R2.7798 CCN(Cc1cc(cs1)C)c2cccc(c2)C AIFCHEM-94529780801 [0,2,0,0,0,0|2,0,0]=4 267 B18R2.7798 CCN(Cc1ccc(s1)C)c2cccc(c2)C AIFCHEM-94529777233 [0,2,0,0,0,0|2,0,0]=4 268 B18R2.7798 CCN(Cc1csc(c1)Br)c2cccc(c2)C AIFCHEM-94529778142 [0,2,0,0,0,0|2,0,0]=4 269 B18R2.7798 CCN(Cc1csc(n1)Cl)c2cccc(c2)C AIFCHEM-94529780255 [0,2,0,0,0,0|1,0,1]=4 270 B18R2.7809 CCN(Cc1cc(sc1Cl)Cl)c2ccccc2 AIFCHEM-94562512032 [0,2,0,0,0,0|2,0,0]=4 271 B18R2.7813 CCN(Cc1cc(c(s1)Br)Br)c2ccccc2 AIFCHEM-94562510806 [0,2,0,0,0,0|2,0,0]=4 272 B18R2.15866 CCc1ccc(s1)CN(CC)c2ccccc2 AIFCHEM-94562510739 [0,2,0,0,0,0|2,0,0]=4 273 B18R2.29833 CC(=O)N(Cc1cnc(s1)C)c2ccccc2 AIFCHEM-99353282631 [0,2,0,0,0,0|1,0,1]=4 274 B18R2.29833 Cc1ncc(s1)CN(c2ccccc2)C(C)C AIFCHEM-5750869407 [0,2,0,0,0,0|1,0,0]=3 275 B18R2.78425 CCN(Cc1cc(cs1)C)c2ccccc2C AIFCHEM-6004280568 [0,2,0,0,0,0|2,0,0]=4 276 B18R2.78425 CCN(Cc1csc(n1)Br)c2ccccc2C AIFCHEM-6004699931 [0,2,0,0,0,0|1,0,1]=4 277 B18R2.126986 CCN(Cc1cnn(c1Cl)C)c2ccccc2 AIFCHEM-94562507726 [0,2,0,0,0,0|2,0,0]=4 278 B18R2.126986 CCN(Cc1ncc(n1C)Br)c2ccccc2 AIFCHEM-94562512861 [0,2,0,0,0,0|2,0,0]=4 279 B18R2.1510 CCN(Cc1ccco1)c2cccc(c2)OC AIFCHEM-94540086950 [0,2,0,0,0,0|2,0,0]=4 280 B18R2.1510 CCN(Cc1cscn1)c2cccc(c2)OC AIFCHEM-5746123309 [0,2,0,0,0,0|1,0,1]=4 281 B18R2.31166 CC(=O)N(Cc1cnco1)c2cccc(c2)Br AIFCHEM-98288930191 [0,2,0,0,0,0|1,0,1]=4 282 B18R2.31166 CC(=O)N(Cc1cnco1)c2cccc(c2)Cl AIFCHEM-99350683173 [0,2,0,0,0,0|1,0,1]=4 283 B18R2.31166 CC(=O)N(Cc1cncs1)c2cccc(c2)Br AIFCHEM-98288648973 [0,2,0,0,0,0|1,0,1]=4 284 B18R2.31166 CC(=O)N(Cc1cncs1)c2cccc(c2)Cl AIFCHEM-94685269273 [0,2,0,0,0,0|1,0,1]=4 285 B18R2.78646 CCN(Cc1cocn1)c2cc(ccc2C)O AIFCHEM-6241099723 [0,2,0,0,0,0|1,0,1]=4 286 B18R2.78646 CCN(Cc1cscn1)c2cc(ccc2C)O AIFCHEM-6278333480 [0,2,0,0,0,0|1,0,1]=4 287 B18R2.782 CCN(Cc1nccn1CC)c2ccccc2 AIFCHEM-94562507574 [0,2,0,0,0,0|2,0,0]=4 288 B18R2.78948 CCN(Cc1cscc1Br)c2ccccc2C AIFCHEM-6025106187 [0,2,0,0,0,0|2,0,0]=4 289 B18R2.78948 CCN(Cc1ncsc1Br)c2ccccc2C AIFCHEM-6080516236 [0,2,0,0,0,0|1,0,1]=4 290 B18R2.78948 CCN(Cc1occc1Br)c2ccccc2C AIFCHEM-6004119137 [0,2,0,0,0,0|2,0,0]=4 291 B18R2.78948 CCN(Cc1scnc1C)c2ccccc2C AIFCHEM-6004300564 [0,2,0,0,0,0|1,0,0]=3 292 B18R3.2098 c1cc(ccn1)CN2CCc3c2ccnc3 AIFCHEM-94551711366 [0,0,0,1,0,1|2,0,0]=4 293 B18R3.2098 c1cc2c(cn1)N(CC2)Cc3cncnc3 AIFCHEM-94573862571 [0,0,0,1,0,1|1,0,1]=4 294 B18R3.2098 c1ccc2c(c1)CCN2Cc3cnccn3 AIFCHEM-5850121700 [0,0,0,1,0,1|0,0,1]=3 295 B18R3.2098 c1cnc2c(c1)N(CC2)Cc3ccncn3 AIFCHEM-6147548218 [0,0,0,1,0,1|1,0,1]=4 296 B18R3.2098 c1cnc2c(c1)N(CC2)Cc3cncnc3 AIFCHEM-94559671869 [0,0,0,1,0,1|1,0,1]=4 297 B18R3.2098 c1cncc(c1)CN2CCc3c2cccc3 AIFCHEM-5875600031 [0,0,0,1,0,1|1,0,0]=3 298 B18R3.12792 c1cc(ccn1)CN2CCn3cncc3C2 AIFCHEM-5722903671 [0,0,0,1,0,1|1,0,0]=3 299 B18R3.12792 c1cc(ncn1)CN2CCc3nc[nH]c3C2 AIFCHEM-5827529761 [0,0,0,1,0,1|2,0,0]=4 300 B18R3.12792 c1ccc(nc1)CN2CCn3nncc3C2 AIFCHEM-5913795407 [0,0,0,1,0,1|2,0,0]=4 301 B18R3.12792 c1cnc(nc1)CN2CCc3nc[nH]c3C2 AIFCHEM-5800646839 [0,0,0,1,0,1|2,0,0]=4 302 B18R3.12792 c1cncc(c1)CN2CCn3nncc3C2 AIFCHEM-5974975574 [0,0,0,1,0,1|2,0,0]=4 303 B18R3.36580 c1c[nH]c(c1)CN2CCc3cccnc3C2 AIFCHEM-5748567075 [0,0,0,1,0,1|2,0,0]=4 304 B18R3.36580 c1cc2c(cn1)CCN(C2)Cc3cnco3 AIFCHEM-5811005022 [0,0,0,1,0,1|2,0,0]=4 305 B18R3.36580 c1ccc2c(c1)CCN(C2)Cc3ccoc3 AIFCHEM-5786687673 [0,0,0,1,0,1|2,0,0]=4 306 B18R3.36580 c1csc(c1)CN2CCc3ccccc3C2 AIFCHEM-5786681185 [0,0,0,1,0,1|2,0,0]=4 307 B18R3.3347 c1ccc2c(c1)CCC2NCc3cncs3 AIFCHEM-5915291622 [0,0,0,1,0,1|2,0,0]=4 308 B18R3.3347 c1ccc2c(c1)CC[C@@H]2NCc3cncs3 AIFCHEM-94567471127 [0,0,0,1,0,1|2,0,0]=4 309 B18R3.3347 c1ccc2c(c1)CC[C@H]2NCc3cncs3 AIFCHEM-5991669698 [0,0,0,1,0,1|2,0,0]=4 310 B18R3.3190 Brc1ccc2c(c1)CCN2Cc3ccco3 AIFCHEM-94540084156 [0,1,0,1,0,0|2,0,0]=4 311 B18R3.3190 Brc1ccc2c(c1)CCN2Cc3ccoc3 AIFCHEM-5919269362 [0,1,0,1,0,0|2,0,0]=4 312 B18R3.3190 Brc1ccc2c(c1)CCN2Cc3cscn3 AIFCHEM-5897316902 [0,1,0,1,0,0|1,0,1]=4 313 B18R3.3190 Cc1ccc2c(c1)CCN2Cc3cn[nH]c3 AIFCHEM-94528444485 [0,1,0,1,0,0|2,0,0]=4 314 B18R3.3190 Clc1ccc2c(c1)CCN2Cc3cccs3 AIFCHEM-94580621359 [0,1,0,1,0,0|2,0,0]=4 315 B18R3.3190 Fc1ccc2c(c1)CCN2Cc3cccs3 AIFCHEM-6040486322 [0,1,0,1,0,0|2,0,0]=4 316 B18R3.11 c1ccc2c(c1)CCCN2Cc3cncs3 AIFCHEM-5854196671 [0,1,0,1,0,0|1,0,0]=3 317 B18R3.11 c1coc(c1)CN2CCSc3c2cccc3 AIFCHEM-94540085568 [0,1,0,1,0,0|2,0,0]=4 318 B18R3.11 c1csc(c1)CN2CCSc3c2cccc3 AIFCHEM-6269039124 [0,1,0,1,0,0|2,0,0]=4 319 B18R3.618712 CC1CN(c2c1cccc2)Cc3cccs3 AIFCHEM-94519229862 [0,1,0,1,0,0|2,0,0]=4 320 B18R3.2886 Brc1c[nH]c(c1)CN2CCc3c2cncc3 AIFCHEM-94573868999 [0,1,0,1,0,0|2,0,0]=4 321 B18R3.2886 Brc1nc(co1)CN2CCc3c2cccc3 AIFCHEM-94571039652 [0,1,0,1,0,0|1,0,1]=4 322 B18R3.2886 Brc1ncc(s1)CN2CCc3c2cncc3 AIFCHEM-94573866602 [0,1,0,1,0,0|2,0,0]=4 323 B18R3.2886 Cc1nc(co1)CN2CCc3c2cccc3 AIFCHEM-5850074670 [0,1,0,1,0,0|1,0,1]=4 324 B18R3.2886 Cc1ncc(o1)CN2CCc3c2cccn3 AIFCHEM-6164724509 [0,1,0,1,0,0|2,0,0]=4 325 B18R3.2886 Clc1ncc(s1)CN2CCc3c2cccc3 AIFCHEM-5866057722 [0,1,0,1,0,0|1,0,0]=3 326 B18R3.2886 Oc1csc(c1)CN2CCc3c2cccc3 AIFCHEM-94571798955 [0,1,0,1,0,0|2,0,0]=4 327 B18R3.5868 Brc1cccc2c1CCN2Cc3cc[nH]c3 AIFCHEM-94594631676 [0,1,0,1,0,0|1,0,1]=4 328 B18R3.5868 Brc1cccc2c1CCN2Cc3cccs3 AIFCHEM-5966083281 [0,1,0,1,0,0|2,0,0]=4 329 B18R3.5868 Brc1ccnc2c1CCN2Cc3cncs3 AIFCHEM-6120873071 [0,1,0,1,0,0|2,0,0]=4 330 B18R3.5868 Cc1cccc2c1CCN2Cc3cncs3 AIFCHEM-6134961609 [0,1,0,1,0,0|1,0,0]=3 331 B18R3.5868 Cc1cccc2c1CCN2Cc3cocn3 AIFCHEM-6133086195 [0,1,0,1,0,0|1,0,1]=4 332 B18R3.5868 Clc1cccc2c1CCN2Cc3cnco3 AIFCHEM-6129673367 [0,1,0,1,0,0|1,0,0]=3 333 B18R3.5868 Fc1cccc2c1CCN2Cc3ccoc3 AIFCHEM-6157421414 [0,1,0,1,0,0|2,0,0]=4 334 B18R3.54382 Cc1ccc2c(c1)N(CC2)Cc3ccco3 AIFCHEM-94540091768 [0,1,0,1,0,0|2,0,0]=4 335 B18R3.54382 Cc1ccc2c(c1)N(CC2)Cc3cn[nH]c3 AIFCHEM-94528446572 [0,1,0,1,0,0|2,0,0]=4 336 B18R3.54382 Cc1ccc2c(c1)N(CC2)Cc3cscn3 AIFCHEM-6165975632 [0,1,0,1,0,0|1,0,1]=4 337 B18R3.54382 Clc1ccc2c(c1)N(CC2)Cc3c[nH]cn3 AIFCHEM-94519638236 [0,1,0,1,0,0|0,0,2]=4 338 B18R3.54382 Clc1ccc2c(c1)N(CC2)Cc3cccs3 AIFCHEM-94519641674 [0,1,0,1,0,0|2,0,0]=4 339 B18R3.54382 Clc1ccc2c(c1)N(CC2)Cc3cn[nH]c3 AIFCHEM-94519638576 [0,1,0,1,0,0|2,0,0]=4 340 B18R3.54382 Clc1ccc2c(c1)N(CC2)Cc3ncc[nH]3 AIFCHEM-94519635104 [0,1,0,1,0,0|2,0,0]=4 341 B18R3.54382 Fc1ccc2c(c1)N(CC2)Cc3ccco3 AIFCHEM-94540084438 [0,1,0,1,0,0|2,0,0]=4 342 B18R3.54382 Fc1ccc2c(c1)N(CC2)Cc3cocn3 AIFCHEM-5969199265 [0,1,0,1,0,0|1,0,1]=4 343 B18R3.184 Brc1cn[nH]c1CN2CCc3c2cccc3 AIFCHEM-94522945214 [0,1,0,1,0,0|2,0,0]=4 344 B18R3.184 Cc1[nH]cnc1CN2CCc3c2cccc3 AIFCHEM-5815299857 [0,1,0,1,0,0|0,0,2]=4 345 B18R3.184 Cc1cc[nH]c1CN2CCc3c2cccn3 AIFCHEM-94559674594 [0,1,0,1,0,0|2,0,0]=4 346 B18R3.184 Cc1ncsc1CN2CCc3c2nccc3 AIFCHEM-6117598889 [0,1,0,1,0,0|2,0,0]=4 347 B18R3.184 Cn1cncc1CN2CCc3c2ccnc3 AIFCHEM-94551709035 [0,1,0,1,0,0|1,0,0]=3 348 B18R3.6371 CC1Cc2ccccc2N1Cc3cn[nH]c3 AIFCHEM-94528444772 [0,1,0,1,0,0|2,0,0]=4 349 B18R3.89767 Brc1cccc2c1N(CC2)Cc3cccs3 AIFCHEM-6199971556 [0,1,0,1,0,0|2,0,0]=4 350 B18R3.89767 Fc1cccc2c1N(CC2)Cc3cnco3 AIFCHEM-5651432345 [0,1,0,1,0,0|1,0,0]=3 351 B16R2.88 CN(Cc1ccncn1)c2ccncc2 AIFCHEM-5855035261 [1,0,0,0,0,1|1,0,1]=4 352 B16R2.88 CN(Cc1ncccn1)c2ccccc2 AIFCHEM-94545178230 [1,0,0,0,0,1|1,0,1]=4 353 B16R2.524 CN(Cc1ccccc1)Cc2c[nH]cn2 AIFCHEM-94536084957 [1,0,0,0,0,1|0,0,2]=4 354 B16R2.524 CN(Cc1ccccc1)Cc2ccco2 AIFCHEM-94540080179 [1,0,0,0,0,1|2,0,0]=4 355 B16R2.524 CN(Cc1ccccc1)Cc2ccoc2 AIFCHEM-94536086922 [1,0,0,0,0,1|2,0,0]=4 356 B16R2.524 CN(Cc1ccccc1)Cc2ccsc2 AIFCHEM-94536086923 [1,0,0,0,0,1|2,0,0]=4 357 B16R2.524 CN(Cc1ccccc1)Cc2cn[nH]c2 AIFCHEM-94528434983 [1,0,0,0,0,1|2,0,0]=4 358 B18R2.199 CCN(Cc1ccccc1)Cc2cnccn2 AIFCHEM-5615446875 [0,0,0,0,0,2|0,0,1]=3 359 B18R2.199 CCN(Cc1cccnc1)Cc2ccccn2 AIFCHEM-5847650810 [0,0,0,0,0,2|2,0,0]=4 360 B18R2.199 CCN(Cc1cccnc1)Cc2ccncn2 AIFCHEM-5795422546 [0,0,0,0,0,2|1,0,1]=4 361 B18R2.3606 CCC(CNc1cnccn1)c2ccccc2 AIFCHEM-5727574224 [0,0,0,0,0,2|1,0,1]=4 362 B18R2.3606 CC[C@H](NCc1cccnc1)c2ccccc2 AIFCHEM-5590403729 [0,0,0,0,0,2|2,0,0]=4