0 B17R3.1941 C1=C(CCCC1)c2cc3[nH]ncc3cn2 AIFCHEM-6322569209 [0,0,0,0,0,0|4,0,0]=4 1 B17R3.1941 C1=C(CCCC1)c2ccc3cncn3c2 AIFCHEM-6386807230 [0,0,0,0,0,0|1,0,0]=1 2 B17R3.1941 C1=C(CCCC1)c2ccc3cnoc3c2 AIFCHEM-6422196304 [0,0,0,0,0,0|3,0,0]=3 3 B17R3.1941 C1=C(CCCC1)c2ccc3nncn3n2 AIFCHEM-6316037616 [0,0,0,0,0,0|3,0,0]=3 4 B17R3.1941 C1=C(CCCC1)c2ccc3sccc3c2 AIFCHEM-6345893068 [0,0,0,0,0,0|4,0,0]=4 5 B17R3.1941 C1=C(CCCC1)c2cn3cnnc3cn2 AIFCHEM-6359496679 [0,0,0,0,0,0|3,0,0]=3 6 B17R3.1941 C1=C(CCCC1)c2cnc3cn[nH]c3c2 AIFCHEM-6326208653 [0,0,0,0,0,0|4,0,0]=4 7 B17R3.1941 C1=C(CCCO1)c2ccc3cnnn3c2 AIFCHEM-6379242852 [0,0,0,0,0,0|3,0,0]=3 8 B17R3.1941 C1=C(CCCO1)c2ccc3nncn3c2 AIFCHEM-6448821466 [0,0,0,0,0,0|3,0,0]=3 9 B17R3.1941 C1=C(CCCO1)c2ccc3oncc3c2 AIFCHEM-6436128052 [0,0,0,0,0,0|4,0,0]=4 10 B17R3.1941 C1=C(CCNC1)c2ccc3cnoc3c2 AIFCHEM-6425333090 [0,0,0,0,0,0|4,0,0]=4 11 B17R3.1941 C1=C(CCOC1)c2ccc3nccn3c2 AIFCHEM-94557432926 [0,0,0,0,0,0|4,0,0]=4 12 B17R3.1941 C1=C(CCOC1)c2ccc3nncn3c2 AIFCHEM-6425301062 [0,0,0,0,0,0|3,0,0]=3 13 B17R3.1941 C1=C(CCOC1)c2ccc3oncc3c2 AIFCHEM-6448598081 [0,0,0,0,0,0|4,0,0]=4 14 B17R3.1941 C1=C(CCOC1)c2ccc3sncc3c2 AIFCHEM-6374306110 [0,0,0,0,0,0|4,0,0]=4 15 B17R3.1941 C1=C(CCSC1)c2ccc3nccn3c2 AIFCHEM-94557436151 [0,0,0,0,0,0|4,0,0]=4 16 B17R3.1941 C1=C(CCSC1)c2ccc3oncc3c2 AIFCHEM-6440706438 [0,0,0,0,0,0|4,0,0]=4 17 B17R3.1941 C1=C(CCSC1)c2ccn3cncc3c2 AIFCHEM-6355986481 [0,0,0,0,0,0|4,0,0]=4 18 B17R3.1941 C1=C(CNCC1)c2ccc3[nH]ccc3c2 AIFCHEM-6475915777 [0,0,0,0,0,0|3,0,0]=3 19 B17R3.1941 C1=C(CNCC1)c2ccc3c(c2)CCO3 AIFCHEM-6412700809 [0,0,0,0,0,0|3,0,1]=4 20 B17R3.1941 C1=C(CNCC1)c2ccc3c(c2)CNC3 AIFCHEM-94605742810 [0,0,0,0,0,0|1,0,3]=4 21 B17R3.1941 C1=C(CNCC1)c2ccc3c(c2)COC3 AIFCHEM-6338656909 [0,0,0,0,0,0|2,0,2]=4 22 B17R3.1941 C1=C(CNCC1)c2ccc3c(c2)OCO3 AIFCHEM-6340797016 [0,0,0,0,0,0|4,0,0]=4 23 B17R3.1941 C1=C(CNCC1)c2ccc3ccoc3c2 AIFCHEM-6426910907 [0,0,0,0,0,0|3,0,0]=3 24 B17R3.1941 C1=C(CNCC1)c2ccc3ncnn3c2 AIFCHEM-6310584081 [0,0,0,0,0,0|3,0,0]=3 25 B17R3.1941 C1=C(CNCC1)c2ccc3nonc3c2 AIFCHEM-6354231232 [0,0,0,0,0,0|4,0,0]=4 26 B17R3.1941 C1=C(CNCC1)c2ccc3nsnc3c2 AIFCHEM-6196817986 [0,0,0,0,0,0|4,0,0]=4 27 B17R3.1941 C1=C(CNCC1)c2ccc3oncc3c2 AIFCHEM-6335868880 [0,0,0,0,0,0|2,0,0]=2 28 B17R3.1941 C1=C(CNCC1)c2ccc3sccc3c2 AIFCHEM-6337859341 [0,0,0,0,0,0|3,0,0]=3 29 B17R3.1941 C1=C(CNCC1)c2ccc3sncc3c2 AIFCHEM-6365403535 [0,0,0,0,0,0|2,0,0]=2 30 B17R3.1941 C1=C(CNCC1)c2ccn3nccc3c2 AIFCHEM-6189519884 [0,0,0,0,0,0|4,0,0]=4 31 B17R3.1941 C1=C(CNCC1)c2cn3ncnc3cn2 AIFCHEM-6339856825 [0,0,0,0,0,0|4,0,0]=4 32 B17R3.1941 C1=C(CNCC1)c2cnc3n[nH]cc3c2 AIFCHEM-94559829224 [0,0,0,0,0,0|3,0,1]=4 33 B17R3.1941 C1=C(CNCC1)c2cnc3ncnn3c2 AIFCHEM-6482652839 [0,0,0,0,0,0|4,0,0]=4 34 B17R3.1941 C1=C(OCCC1)c2ccc3sncc3c2 AIFCHEM-6365432781 [0,0,0,0,0,0|4,0,0]=4 35 B17R3.1941 c1cc(ccn1)c2ccc3cncn3c2 AIFCHEM-6401737240 [0,0,0,0,0,0|2,0,2]=4 36 B17R3.1941 c1cncc(c1)c2ccc3cncn3c2 AIFCHEM-94520908933 [0,0,0,0,0,0|0,0,4]=4 37 B18R3.151 Cc1cc2ncc(cn2n1)C3=CCCNC3 AIFCHEM-6431437684 [0,1,0,0,0,0|3,0,0]=4 38 B18R3.171 Fc1cc2[nH]ncc2cc1C3=CCCNC3 AIFCHEM-6193830749 [0,1,0,0,0,0|2,0,0]=3 39 B18R3.171 Oc1cc2[nH]ncc2cc1C3=CCCCC3 AIFCHEM-6317010513 [0,1,0,0,0,0|3,0,0]=4 40 B18R3.171 Oc1cc2[nH]ncc2cc1C3=CCCNC3 AIFCHEM-6335500674 [0,1,0,0,0,0|2,0,0]=3 41 B18R3.171 Oc1cc2cn[nH]c2cc1C3=CCCNC3 AIFCHEM-6301867513 [0,1,0,0,0,0|2,0,0]=3 42 B18R3.2972 CC1CC=C(CC1)c2ccc3cncn3c2 AIFCHEM-6482713564 [0,1,0,0,0,0|1,0,0]=2 43 B18R3.2972 CC1CC=C(CC1)c2ccc3nncn3c2 AIFCHEM-6396285618 [0,1,0,0,0,0|2,0,0]=3 44 B18R3.2972 CN1CC=C(CC1)c2ccc3cncn3c2 AIFCHEM-6386830744 [0,1,0,0,0,0|2,0,0]=3 45 B18R3.2972 O=c1ncc(c[nH]1)c2ccc3cncn3c2 AIFCHEM-6475097999 [0,1,0,0,0,0|1,0,2]=4 46 B18R3.2972 OC1CC=C(CC1)c2ccc3nncn3c2 AIFCHEM-6452773817 [0,1,0,0,0,0|2,0,0]=3 47 B18R3.2972 OC1CC=C(CC1)c2ccc3oncc3c2 AIFCHEM-6423096324 [0,1,0,0,0,0|3,0,0]=4 48 B18R3.2972 OC1CC=C(CC1)c2ccn3cncc3c2 AIFCHEM-6380891803 [0,1,0,0,0,0|3,0,0]=4 49 B18R3.3026 CN1CCC=C(C1)c2ccc3[nH]ncc3n2 AIFCHEM-6322741564 [0,1,0,0,0,0|3,0,0]=4 50 B18R3.3026 CN1CCC=C(C1)c2ccc3cc[nH]c3c2 AIFCHEM-6471884120 [0,1,0,0,0,0|3,0,0]=4 51 B18R3.3026 CN1CCC=C(C1)c2ccc3ccnn3c2 AIFCHEM-6314084781 [0,1,0,0,0,0|2,0,0]=3 52 B18R3.3026 CN1CCC=C(C1)c2ccc3cn[nH]c3c2 AIFCHEM-6471520341 [0,1,0,0,0,0|2,0,0]=3 53 B18R3.3026 CN1CCC=C(C1)c2ccc3cn[nH]c3n2 AIFCHEM-6355480673 [0,1,0,0,0,0|3,0,0]=4 54 B18R3.3026 CN1CCC=C(C1)c2ccc3sccc3c2 AIFCHEM-6297653618 [0,1,0,0,0,0|3,0,0]=4 55 B18R3.3026 CN1CCC=C(C1)c2ccn3nncc3c2 AIFCHEM-6368627334 [0,1,0,0,0,0|3,0,0]=4 56 B18R3.3026 CN1CCC=C(C1)c2cn3ccnc3cn2 AIFCHEM-6375184288 [0,1,0,0,0,0|3,0,0]=4 57 B18R3.3026 CN1CCC=C(C1)c2cnc3[nH]ncc3c2 AIFCHEM-6353258286 [0,1,0,0,0,0|3,0,0]=4 58 B18R3.3026 O=C1C=C(CCC1)c2ccc3cnnn3c2 AIFCHEM-6331006580 [0,1,0,0,0,0|2,0,1]=4 59 B18R3.4180 Cc1cnn2c1ncc(c2)C3=CCCNC3 AIFCHEM-6396164762 [0,1,0,0,0,0|3,0,0]=4 60 B18R3.4180 Cn1ccc2c1ccc(c2)C3=CCCNC3 AIFCHEM-6346784285 [0,1,0,0,0,0|3,0,0]=4 61 B18R3.4180 Cn1ncc2c1ccc(c2)C3=CCCNC3 AIFCHEM-6393457707 [0,1,0,0,0,0|2,0,0]=3 62 B18R3.4180 O=C1NCc2c1ccc(c2)C3=CCCNC3 AIFCHEM-6337978018 [0,1,0,0,0,0|1,0,2]=4 63 B18R3.4323 Cc1c(ccc2n1ccn2)C3=CCCNC3 AIFCHEM-6303312472 [0,1,0,0,0,0|2,0,0]=3 64 B18R3.4323 Cc1c(ccc2n1ncc2)C3=CCCNC3 AIFCHEM-6349618720 [0,1,0,0,0,0|2,0,0]=3 65 B18R3.4323 Fc1c(ccc2c1[nH]nc2)C3=CCCNC3 AIFCHEM-6396990595 [0,1,0,0,0,0|2,0,0]=3 66 B18R3.4323 Fc1c(ccc2c1cn[nH]2)C3=CCCCC3 AIFCHEM-6290828428 [0,1,0,0,0,0|3,0,0]=4 67 B18R3.6550 Cc1cc(cc2c1cn[nH]2)C3=CCCNC3 AIFCHEM-6349316924 [0,1,0,0,0,0|2,0,0]=3 68 B18R3.6550 Fc1cc(cc2c1[nH]cc2)C3=CCCNC3 AIFCHEM-6358338595 [0,1,0,0,0,0|3,0,0]=4 69 B18R3.6550 Fc1cc(cn2c1ncc2)C3=CCCCC3 AIFCHEM-6410045994 [0,1,0,0,0,0|3,0,0]=4 70 B18R3.6550 Nc1cc(cc2c1[nH]nc2)C3=CCCNC3 AIFCHEM-5833711100 [0,1,0,0,0,0|2,0,0]=3 71 B18R3.6550 Nc1cc(cc2c1cc[nH]2)C3=CCCNC3 AIFCHEM-5797707418 [0,1,0,0,0,0|3,0,0]=4 72 B18R3.6550 Oc1cc(cc2c1cn[nH]2)C3=CCCCC3 AIFCHEM-6364070197 [0,1,0,0,0,0|3,0,0]=4 73 B18R3.6550 Oc1cc(cc2c1cn[nH]2)C3=CCCNC3 AIFCHEM-6364165485 [0,1,0,0,0,0|2,0,0]=3 74 B18R3.6550 Oc1cc(cn2c1ccn2)C3=CCCCC3 AIFCHEM-6328805185 [0,1,0,0,0,0|3,0,0]=4 75 B18R3.53542 Cc1c[nH]c2c1cc(cc2)C3=CCCNC3 AIFCHEM-6384997524 [0,1,0,0,0,0|3,0,0]=4 76 B18R3.53542 Nc1cnc2n1cc(cc2)C3=CCCNC3 AIFCHEM-5667461615 [0,1,0,0,0,0|2,0,0]=3 77 B18R3.53542 O=C1CCc2c1cc(cc2)C3=CCCNC3 AIFCHEM-6341484043 [0,1,0,0,0,0|2,0,1]=4 78 B18R3.53542 O=c1[nH]nc2n1cc(cc2)C3=CCCNC3 AIFCHEM-6352602871 [0,1,0,0,0,0|1,0,1]=3 79 B18R3.53542 O=c1[nH]oc2c1cc(cc2)C3=CCCNC3 AIFCHEM-6475728923 [0,1,0,0,0,0|2,0,1]=4 80 B16R2.2321 Cc1ccc(cc1C=O)C2=CCCNC2 AIFCHEM-6371718268 [0,0,1,0,0,0|2,0,1]=4 81 B16R2.3136 CCCCC=Cc1ccc2cnoc2c1 AIFCHEM-6449076510 [0,0,1,0,0,0|3,0,0]=4 82 B16R2.3136 CCCCC=Cc1ccc2oncc2c1 AIFCHEM-6375748803 [0,0,1,0,0,0|3,0,0]=4 83 B16R2.3136 CCCCC=Cc1ccn2cncc2c1 AIFCHEM-6349197518 [0,0,1,0,0,0|3,0,0]=4 84 B16R3.1779 C1=C(CCC1)c2ccc3cnoc3c2 AIFCHEM-6411041891 [0,0,0,0,1,0|2,0,0]=3 85 B16R3.1779 C1=C(CCC1)c2ccc3ncnn3c2 AIFCHEM-6292979466 [0,0,0,0,1,0|3,0,0]=4 86 B16R3.1779 C1=C(CCC1)c2ccc3nncn3c2 AIFCHEM-6395932051 [0,0,0,0,1,0|1,0,0]=2 87 B16R3.1779 C1=C(CCC1)c2ccc3occc3c2 AIFCHEM-6329296789 [0,0,0,0,1,0|3,0,0]=4 88 B16R3.1779 C1=C(CCC1)c2ccn3cncc3c2 AIFCHEM-6349663095 [0,0,0,0,1,0|2,0,0]=3 89 B16R3.1779 C1=C(CCO1)c2ccc3ccnn3c2 AIFCHEM-6337141357 [0,0,0,0,1,0|3,0,0]=4 90 B16R3.1779 C1=C(CCO1)c2ccc3cn[nH]c3c2 AIFCHEM-6471517336 [0,0,0,0,1,0|3,0,0]=4 91 B16R3.1779 C1=C(CCO1)c2ccc3cnnn3c2 AIFCHEM-6344635672 [0,0,0,0,1,0|2,0,0]=3 92 B16R3.1779 C1=C(CCO1)c2ccc3nccn3c2 AIFCHEM-94526012877 [0,0,0,0,1,0|3,0,0]=4 93 B16R3.1779 C1=C(CCO1)c2ccc3nncn3n2 AIFCHEM-6313375080 [0,0,0,0,1,0|3,0,0]=4 94 B16R3.1779 C1=C(CCO1)c2cn3cnnc3cn2 AIFCHEM-6376631166 [0,0,0,0,1,0|3,0,0]=4 95 B16R3.1779 C1=C(CNC1)c2ccc3cncn3c2 AIFCHEM-6386802702 [0,0,0,0,1,0|0,0,0]=1 96 B16R3.1779 C1=C(CNC1)c2ccc3n[nH]cc3c2 AIFCHEM-94600635048 [0,0,0,0,1,0|2,0,1]=4 97 B16R3.1779 C1=C(CNC1)c2ccc3nncn3n2 AIFCHEM-6288388198 [0,0,0,0,1,0|2,0,0]=3 98 B16R3.1779 C1=C(CNC1)c2ccn3nncc3c2 AIFCHEM-6308475557 [0,0,0,0,1,0|3,0,0]=4 99 B16R3.1779 C1=C(CNC1)c2cnc3nccn3c2 AIFCHEM-6450176475 [0,0,0,0,1,0|3,0,0]=4 100 B16R3.1779 C1=C(CNC1)c2cnc3nncn3c2 AIFCHEM-6288940301 [0,0,0,0,1,0|2,0,0]=3 101 B16R3.1779 C1=C(COC1)c2ccc3nncn3c2 AIFCHEM-6395872901 [0,0,0,0,1,0|2,0,0]=3 102 B16R3.1779 c1cc(co1)c2ccc3cncn3c2 AIFCHEM-6482587292 [0,0,0,0,1,0|1,0,2]=4 103 B16R3.1779 c1cc(cs1)c2ccc3cncn3c2 AIFCHEM-6386791406 [0,0,0,0,1,0|1,0,2]=4 104 B16R3.1779 c1cc2nncn2cc1c3cn[nH]c3 AIFCHEM-6425232869 [0,0,0,0,1,0|2,0,1]=4 105 B16R3.1779 c1cc2nncn2cc1c3cn[nH]n3 AIFCHEM-94553323187 [0,0,0,0,1,0|3,0,0]=4 106 B16R3.5988 C1=C(CCCO1)c2cn3cncc3s2 AIFCHEM-6420109519 [0,0,0,0,1,0|3,0,0]=4 107 B16R3.5988 C1=C(OCCC1)c2cn3cncc3s2 AIFCHEM-6443336090 [0,0,0,0,1,0|3,0,0]=4 108 B18R3.2123 C1=C(CCCO1)c2ccc3cnncc3c2 AIFCHEM-6297886637 [0,0,0,0,0,1|3,0,0]=4 109 B18R3.2123 C1=C(CCCO1)c2ccc3ncncc3c2 AIFCHEM-6318101630 [0,0,0,0,0,1|3,0,0]=4 110 B18R3.2123 C1=C(CCNC1)c2ccc3cnncc3c2 AIFCHEM-6297727575 [0,0,0,0,0,1|3,0,0]=4 111 B18R3.2123 C1=C(CCOC1)c2ccc3ccncc3c2 AIFCHEM-6391295769 [0,0,0,0,0,1|3,0,0]=4 112 B18R3.2123 C1=C(CCOC1)c2ccc3cncnc3c2 AIFCHEM-6294281734 [0,0,0,0,0,1|3,0,0]=4 113 B18R3.2123 C1=C(CCOC1)c2ccc3ncncc3c2 AIFCHEM-6424197311 [0,0,0,0,0,1|3,0,0]=4 114 B18R3.2123 C1=C(CNCC1)c2ccc3ccccc3n2 AIFCHEM-6327400030 [0,0,0,0,0,1|3,0,0]=4 115 B18R3.2123 C1=C(CNCC1)c2ccc3cnncc3c2 AIFCHEM-6325805855 [0,0,0,0,0,1|1,0,0]=2 116 B18R3.2123 C1=C(CNCC1)c2cnc3cccnc3c2 AIFCHEM-6345676301 [0,0,0,0,0,1|3,0,0]=4 117 B18R3.2123 C1=C(OCCC1)c2ccc3ncncc3c2 AIFCHEM-6317282281 [0,0,0,0,0,1|3,0,0]=4 118 B18R3.10316 C1=C(CCCCC1)c2ccc3cnoc3c2 AIFCHEM-6411083244 [0,0,0,0,0,1|3,0,0]=4 119 B15R2.2123 CCCC=Cc1ccc2cnnn2c1 AIFCHEM-6351952717 [1,0,1,0,0,0|1,0,0]=3 120 B15R2.2123 CCCC=Cc1ccc2nncn2c1 AIFCHEM-6396346074 [1,0,1,0,0,0|1,0,0]=3 121 B15R2.2123 CCCC=Cc1ccc2nncn2n1 AIFCHEM-6334661021 [1,0,1,0,0,0|2,0,0]=4 122 B15R2.2123 CCCC=Cc1ccc2nnnn2c1 AIFCHEM-94578760714 [1,0,1,0,0,0|2,0,0]=4 123 B15R2.2123 CCCC=Cc1cn2cnnc2cn1 AIFCHEM-6359413320 [1,0,1,0,0,0|2,0,0]=4 124 B15R2.2123 CCOC=Cc1ccc2cnnn2c1 AIFCHEM-6302859199 [1,0,1,0,0,0|2,0,0]=4 125 B15R2.2123 CCOC=Cc1ccc2nncn2c1 AIFCHEM-6410907509 [1,0,1,0,0,0|2,0,0]=4 126 B17R2.59247 CCCCC=Cc1ccc2nnc(n2c1)C AIFCHEM-6353155304 [0,1,1,0,0,0|2,0,0]=4 127 B17R3.2399 Cn1ncc(n1)c2ccc3cncn3c2 AIFCHEM-6401901486 [0,1,0,0,1,0|2,0,0]=4 128 B17R3.2399 O=C1C=C(CC1)c2ccc3cncn3c2 AIFCHEM-6469729888 [0,1,0,0,1,0|0,0,1]=3 129 B17R3.2856 Cc1cc2cn[nH]c2cc1C3=CCNC3 AIFCHEM-6331727151 [0,1,0,0,1,0|2,0,0]=4 130 B17R3.2856 Cc1cc2nccn2cc1C3=CCNC3 AIFCHEM-6344088931 [0,1,0,0,1,0|2,0,0]=4 131 B17R3.2856 Fc1cc2cn[nH]c2cc1C3=CCNC3 AIFCHEM-6360668186 [0,1,0,0,1,0|2,0,0]=4 132 B17R3.2856 Nc1cc2cn[nH]c2cc1C3=CCNC3 AIFCHEM-6164324247 [0,1,0,0,1,0|2,0,0]=4 133 B17R3.2856 Oc1cc2[nH]ncc2cc1C3=CCCC3 AIFCHEM-6316709698 [0,1,0,0,1,0|2,0,0]=4 134 B17R3.2856 Oc1cc2[nH]ncc2cc1C3=CCNC3 AIFCHEM-6289024462 [0,1,0,0,1,0|2,0,0]=4 135 B17R3.2958 Cn1cncc1c2ccc3cncn3c2 AIFCHEM-6387052602 [0,1,0,0,1,0|1,0,1]=4 136 B17R3.3250 Cc1n[nH]c2c1ccc(c2)C3=CCCC3 AIFCHEM-6475394592 [0,1,0,0,1,0|2,0,0]=4 137 B17R3.4919 Cc1cc(cc2c1[nH]nc2)C3=CCCC3 AIFCHEM-6373670751 [0,1,0,0,1,0|2,0,0]=4 138 B17R3.4919 Fc1cc(cc2c1[nH]nc2)C3=CCCC3 AIFCHEM-6370300107 [0,1,0,0,1,0|2,0,0]=4 139 B17R3.4919 Fc1cc(cc2c1[nH]nc2)C3=CCNC3 AIFCHEM-6352192342 [0,1,0,0,1,0|2,0,0]=4 140 B17R3.4919 Fc1cc(cc2c1cn[nH]2)C3=CCCC3 AIFCHEM-6399578366 [0,1,0,0,1,0|2,0,0]=4 141 B17R3.4919 Fc1cc(cc2c1cn[nH]2)C3=CCNC3 AIFCHEM-6350466839 [0,1,0,0,1,0|2,0,0]=4 142 B17R3.4919 Nc1cc(cc2c1[nH]nc2)C3=CCCC3 AIFCHEM-5866398259 [0,1,0,0,1,0|2,0,0]=4 143 B17R3.4919 Nc1cc(cn2c1ncc2)C3=CCCC3 AIFCHEM-6050928067 [0,1,0,0,1,0|2,0,0]=4 144 B17R3.4919 Oc1cc(cc2c1cn[nH]2)C3=CCCC3 AIFCHEM-6364288419 [0,1,0,0,1,0|2,0,0]=4 145 B17R3.4919 Oc1cc(cc2c1cn[nH]2)C3=CCNC3 AIFCHEM-6364066816 [0,1,0,0,1,0|2,0,0]=4 146 B17R3.31515 Cc1nnc2n1cc(cc2)C3=CCCC3 AIFCHEM-6353208677 [0,1,0,0,1,0|1,0,0]=3 147 B17R3.31515 Cc1nnc2n1cc(cc2)C3=CCNC3 AIFCHEM-6299836351 [0,1,0,0,1,0|1,0,0]=3 148 B17R3.31515 Nc1noc2c1cc(cc2)C3=CCCC3 AIFCHEM-5664384496 [0,1,0,0,1,0|2,0,0]=4 149 B17R3.31515 O=c1[nH]nc2n1cc(cc2)C3=CCNC3 AIFCHEM-6298696823 [0,1,0,0,1,0|1,0,1]=4 150 B17R3.32975 Cc1c(ccc2c1[nH]nc2)C3=CCNC3 AIFCHEM-6298988473 [0,1,0,0,1,0|2,0,0]=4 151 B17R3.32975 Cc1c(ccc2n1ccn2)C3=CCNC3 AIFCHEM-6372027126 [0,1,0,0,1,0|2,0,0]=4 152 B17R3.32975 Fc1c(ccc2c1[nH]nc2)C3=CCCC3 AIFCHEM-6395101888 [0,1,0,0,1,0|2,0,0]=4 153 B17R3.32975 Nc1c(ccc2c1cn[nH]2)C3=CCCC3 AIFCHEM-6250706314 [0,1,0,0,1,0|2,0,0]=4 154 B19R3.291 Fc1cc2cnccc2cc1C3=CCCCC3 AIFCHEM-6315894397 [0,1,0,0,0,1|2,0,0]=4 155 B19R3.291 Fc1cc2ncccc2cc1C3=CCCNC3 AIFCHEM-6311749477 [0,1,0,0,0,1|2,0,0]=4 156 B19R3.291 Nc1cc2ccccc2cc1C3=CCCNC3 AIFCHEM-94543836400 [0,1,0,0,0,1|2,0,0]=4 157 B19R3.3862 CC1CC=C(CC1)c2ccc3cnncc3c2 AIFCHEM-6297641744 [0,1,0,0,0,1|2,0,0]=4 158 B19R3.3862 NC1CC=C(CC1)c2ccc3ccncc3c2 AIFCHEM-94531775259 [0,1,0,0,0,1|2,0,0]=4 159 B19R3.3862 OC1CC=C(CC1)c2ccc3cncnc3c2 AIFCHEM-6294826401 [0,1,0,0,0,1|2,0,0]=4 160 B19R3.3862 OC1CC=C(CC1)c2ccc3ncncc3c2 AIFCHEM-6427742588 [0,1,0,0,0,1|2,0,0]=4 161 B19R3.3971 CN1CCC=C(C1)c2ccc3ncccc3c2 AIFCHEM-6287774503 [0,1,0,0,0,1|2,0,0]=4 162 B19R3.4010 Cc1ncc2ccc(cc2n1)C3=CCCNC3 AIFCHEM-6294285905 [0,1,0,0,0,1|1,0,0]=3 163 B19R3.4010 O=c1ccc2ccc(cc2o1)C3=CCCNC3 AIFCHEM-6462741464 [0,1,0,0,0,1|2,0,0]=4 164 B19R3.6048 Nc1c(ccc2c1ccnc2)C3=CCCCC3 AIFCHEM-5783357171 [0,1,0,0,0,1|2,0,0]=4 165 B19R3.8275 O=c1[nH]cnc2c1ccc(c2)C3=CCCNC3 AIFCHEM-6454852529 [0,1,0,0,0,1|1,0,1]=4 166 B19R3.8275 O=c1ccoc2c1ccc(c2)C3=CCCNC3 AIFCHEM-6371941190 [0,1,0,0,0,1|2,0,0]=4 167 B19R3.9171 Nc1cc(cc2c1nccc2)C3=CCCNC3 AIFCHEM-94553217280 [0,1,0,0,0,1|2,0,0]=4 168 B19R3.55010 Fc1ccc2cc(ccc2c1)C3=CCCNC3 AIFCHEM-6315737160 [0,1,0,0,0,1|2,0,0]=4 169 B19R3.55010 Nc1cc2ccc(cc2cn1)C3=CCCCC3 AIFCHEM-5987505070 [0,1,0,0,0,1|2,0,0]=4 170 B19R3.55010 Nc1ncc2cc(ccc2n1)C3=CCCCC3 AIFCHEM-5994397405 [0,1,0,0,0,1|2,0,0]=4 171 B19R3.55010 O=c1ccc2cc(ccc2[nH]1)C3=CCCNC3 AIFCHEM-6449339232 [0,1,0,0,0,1|2,0,0]=4 172 B19R3.55010 O=c1ncc2cc(ccc2[nH]1)C3=CCCNC3 AIFCHEM-6346196814 [0,1,0,0,0,1|1,0,0]=3 173 B19R3.152686 Nc1ncnc2c1cc(cc2)C3=CCCCC3 AIFCHEM-6230007079 [0,1,0,0,0,1|2,0,0]=4 174 B19R3.152686 Nc1ncnc2c1cc(cc2)C3=CCCNC3 AIFCHEM-6232016446 [0,1,0,0,0,1|1,0,0]=3 175 B19R3.152686 Oc1cnnc2c1cc(cc2)C3=CCCNC3 AIFCHEM-94570132594 [0,1,0,0,0,1|2,0,0]=4 176 B19R3.3939 CN1CCC=C(C1)c2cc3cn[nH]c3cc2F AIFCHEM-6259880671 [0,2,0,0,0,0|2,0,0]=4 177 B19R3.3939 CN1CCC=C(C1)c2cc3cn[nH]c3cc2O AIFCHEM-6313851215 [0,2,0,0,0,0|2,0,0]=4 178 B19R3.89398 Cc1cc2c(cnn2C)cc1C3=CCCNC3 AIFCHEM-6362986964 [0,2,0,0,0,0|2,0,0]=4 179 B19R3.2452806 Cc1cc2cnn(c2cc1C3=CCCNC3)C AIFCHEM-6360099687 [0,2,0,0,0,0|2,0,0]=4 180 B19R3.2452806 Cc1cc2n[nH]c(=O)n2cc1C3=CCCNC3 AIFCHEM-6312109065 [0,2,0,0,0,0|1,0,1]=4 181 B19R3.145 CCC1CC=C(CC1)c2ccc3nncn3c2 AIFCHEM-6411083899 [0,2,0,0,0,0|2,0,0]=4 182 B19R3.2285135 FC1(CC=C(CC1)c2ccc3cnnn3c2)F AIFCHEM-6303197541 [0,2,0,0,0,0|2,0,0]=4 183 B19R3.2285135 O=S1(=O)CC=C(CC1)c2ccc3cncn3c2 AIFCHEM-6401679274 [0,2,0,0,0,0|2,0,0]=4 184 B19R3.54049 Cc1c(ccc2c1[nH]nc2)C3=CCCN(C3)C AIFCHEM-6329080824 [0,2,0,0,0,0|2,0,0]=4 185 B19R3.54049 Cc1c(ccc2n1ccn2)C3=CCCN(C3)C AIFCHEM-6303018229 [0,2,0,0,0,0|2,0,0]=4 186 B19R3.54050 CN1CCC=C(C1)c2ccc3[nH]nc(c3c2)N AIFCHEM-94608786402 [0,2,0,0,0,0|2,0,0]=4 187 B19R3.54555 Cc1noc2c1ccc(c2)C3=CCCN(C3)C AIFCHEM-6339698024 [0,2,0,0,0,0|2,0,0]=4 188 B19R3.181900 CN1CCC=C(C1)c2cc(c3[nH]ncc3c2)N AIFCHEM-5833710440 [0,2,0,0,0,0|2,0,0]=4 189 B19R3.181900 CN1CCC=C(C1)c2cc(c3cn[nH]c3c2)O AIFCHEM-6330438208 [0,2,0,0,0,0|2,0,0]=4 190 B19R3.181900 CN1CCC=C(C1)c2cc(c3nccn3c2)N AIFCHEM-6050867564 [0,2,0,0,0,0|2,0,0]=4 191 B19R3.181900 Cc1cc(cc2c1cn[nH]2)C3=CCCN(C3)C AIFCHEM-6377159513 [0,2,0,0,0,0|2,0,0]=4 192 B19R3.1437 N#Cc1n[nH]c2c1ccc(c2)C3=CCCNC3 AIFCHEM-6366362858 [0,2,0,0,0,0|2,0,0]=4 193 B19R3.86279 Cc1cc(cc2c1n(nc2)C)C3=CCCNC3 AIFCHEM-6386695970 [0,2,0,0,0,0|2,0,0]=4 194 B19R3.89320 Cn1ncc2c1ccc(c2F)C3=CCCNC3 AIFCHEM-6426793989 [0,2,0,0,0,0|2,0,0]=4 195 B19R3.15509 COc1cc(cc2c1[nH]nc2)C3=CCCNC3 AIFCHEM-6254108272 [0,2,0,0,0,0|2,0,0]=4 196 B17R3.8707 C1=C(CNCC1)c2cccc3c2cn[nH]3 AIFCHEM-6403270447 [0,0,1,1,0,0|2,0,0]=4 197 B17R3.8707 C1=C(CNCC1)c2cncn3c2nnc3 AIFCHEM-6288266639 [0,0,1,1,0,0|2,0,0]=4 198 B17R3.8 C1=C(CNCC1)c2[nH]nc3c2cccn3 AIFCHEM-6228184964 [0,0,1,1,0,0|1,0,1]=4 199 B17R3.8 C1=C(CNCC1)c2c[nH]c3c2cccn3 AIFCHEM-6381459553 [0,0,1,1,0,0|0,0,0]=2 200 B17R3.8 C1=C(CNCC1)c2c[nH]c3c2nccc3 AIFCHEM-6332589748 [0,0,1,1,0,0|2,0,0]=4 201 B17R3.8 C1=C(OCCC1)c2c[nH]c3c2cccn3 AIFCHEM-94564813013 [0,0,1,1,0,0|2,0,0]=4 202 B17R3.8708 C1=C(CNCC1)c2cn3ccccc3n2 AIFCHEM-6303066929 [0,0,1,1,0,0|2,0,0]=4 203 B15R3.1712 C1=C(CNC1)c2csc3n2cnc3 AIFCHEM-6338905802 [0,0,0,0,2,0|1,0,0]=3 204 B17R2.5879 CCCCC=Cc1ccc2cnccc2c1 AIFCHEM-6403842255 [0,0,1,0,0,1|2,0,0]=4 205 B17R3.1917 C1=C(CCC1)c2ccc3ccccc3c2 AIFCHEM-6322667786 [0,0,0,0,1,1|2,0,0]=4 206 B17R3.1917 C1=C(CCO1)c2ccc3cnncc3c2 AIFCHEM-6325801805 [0,0,0,0,1,1|2,0,0]=4 207 B17R3.1917 C1=C(CNC1)c2ccc3ncccc3c2 AIFCHEM-6287850649 [0,0,0,0,1,1|2,0,0]=4 208 B19R3.324605 C1=C(CCCCC1)c2ccc3ccncc3c2 AIFCHEM-6405869197 [0,0,0,0,0,2|2,0,0]=4