0 B18R2.2431 CCCCCC(c1ccco1)N2CC=CCC2 270004a_100000698166_200011215134 [0,0,1,0,0,0|0,1,2]=4 1 B18R2.2431 CCCCCC(c1ccco1)N2CCCOC2 270004a_100000131196_200011215134 [0,0,1,0,0,0|1,1,0]=3 2 B18R2.2431 CCCCCC(c1ccco1)N2CCOCC2 270004a_100015191051_200011215134 [0,0,1,0,0,0|1,1,0]=3 3 B18R2.2431 CCCCCC(c1ccco1)N2CCSCC2 270004a_100000737611_200011215134 [0,0,1,0,0,0|1,1,0]=3 4 B18R2.2431 CCCCOC(c1cccs1)C2CCNCC2 34a_200011263765_100000210210 [0,0,1,0,0,0|3,0,0]=4 5 B18R2.82394 C=CCC(=O)C1(CCCCC1)N2CCCCC2 1458a_200015183787_100000210623 [0,0,1,0,0,0|0,1,1]=3 6 B18R2.82394 C=CCC(=O)C1(CCCCC1)N2CCOCC2 1458a_100015184499_100000210623 [0,0,1,0,0,0|1,1,1]=4 7 B18R2.122518 C=CCNCC1(CCCCC1)N2CCCCC2 2230a_100000199121_100000210623 [0,0,1,0,0,0|1,0,2]=4 8 B18R2.122518 C=CCNCC1(CCCCC1)N2CCCCC2 34a_100000199121_100015514636 [0,0,1,0,0,0|1,0,2]=4 9 B18R2.124003 CCCCC(=O)C1(CCCCC1)c2cccs2 1458a_100000758228_100000210211 [0,0,1,0,0,0|2,0,0]=3 10 B18R2.124003 CCCCC(=O)C1(CCOCC1)c2cccs2 1458a_100011689595_100000210211 [0,0,1,0,0,0|3,0,0]=4 11 B18R2.124003 CCCNC(=O)C1(CCCCC1)c2cccs2 11a_100020643023_100000758228 [0,0,1,0,0,0|3,0,0]=4 12 B18R2.124003 CCCNC(=O)C1(CCCCC1)c2cccs2 1626a_100020643023_100000758228 [0,0,1,0,0,0|3,0,0]=4 13 B18R2.124003 CCCNC(=O)C1(CCCCC1)c2cccs2 240690a_100020643023_100000758228 [0,0,1,0,0,0|3,0,0]=4 14 B18R2.124003 COCCC(=O)C1(CCCCC1)c2cccs2 1458a_100000758228_100000233755 [0,0,1,0,0,0|3,0,0]=4 15 B18R2.124003 CSCCC(=O)C1(CCCCC1)c2cccs2 1458a_100000758228_100000751147 [0,0,1,0,0,0|3,0,0]=4 16 B18R2.124003 O=C(CCCF)C1(CCCCC1)c2cccs2 1458a_100000758228_100011934791 [0,0,1,0,0,0|3,0,0]=4 17 B18R2.124003 O=C(CCCO)C1(CCCCC1)c2cccs2 1458a_100000758228_100011215043 [0,0,1,0,0,0|3,0,0]=4 18 B17R2.50217 CCCC(=O)C1(CCCCC1)c2cccs2 1458a_100000758228_100000210303 [1,0,1,0,0,0|2,0,0]=4 19 B19R2.2476 C=C1CCN(CC1)C(CCCCC)c2ccco2 270004a_100000752442_200011215134 [0,1,1,0,0,0|0,1,1]=4 20 B19R2.2476 CCCCCC(c1ccco1)N2CCC(CC2)C 270004a_100000188429_200011215134 [0,1,1,0,0,0|0,1,0]=3 21 B19R2.2476 CCCCCC(c1ccco1)N2CCC(CC2)F 270004a_100015193889_200011215134 [0,1,1,0,0,0|0,1,0]=3 22 B19R2.2476 CCCCCC(c1ccco1)N2CCC(CC2)O 270004a_100025773856_200011215134 [0,1,1,0,0,0|0,1,0]=3 23 B19R2.2476 CCCCCC(c1ccco1)N2CCN(CC2)C 270004a_100000188432_200011215134 [0,1,1,0,0,0|1,1,0]=4 24 B19R2.2476 CCCCCC(c1ccco1)N2CCS(=O)CC2 270004a_100000752083_200011215134 [0,1,1,0,0,0|1,1,0]=4 25 B19R2.2476 CCCNCC(c1cccs1)N2CCN(CC2)C 2230a_100000181470_100000210303 [0,1,1,0,0,0|2,0,0]=4 26 B19R2.3972 CCCCCOC(c1cccs1)C2CCNCC2 34a_200011263765_100000718602 [0,1,1,0,0,0|2,0,0]=4 27 B19R2.16442 CCCCCC(c1ccco1)N2CCCC(C2)F 270004a_100000697950_200011215134 [0,1,1,0,0,0|0,1,0]=3 28 B19R2.16442 CCCCCC(c1ccco1)N2CCCC(C2)O 270004a_100000211013_200011215134 [0,1,1,0,0,0|0,1,0]=3 29 B19R2.16442 CCCCCC(c1ccco1)N2CCC[C@@H](C2)C 270004a_100000717927_200011215134 [0,1,1,0,0,0|0,1,0]=3 30 B19R2.16442 CCCCCC(c1ccco1)N2CCOC(C2)C 270004a_100000729577_200011215134 [0,1,1,0,0,0|1,1,0]=4 31 B19R2.16442 CCCCCC(c1ccco1)N2CCOC(C2)O 270004a_100000688207_200011215134 [0,1,1,0,0,0|1,1,0]=4 32 B19R2.215401 CCCCCC(c1ccco1)N2CCCCC2C 270004a_100000211376_200011215134 [0,1,1,0,0,0|0,1,0]=3 33 B19R2.215401 CCCCCC(c1ccco1)N2CCOC[C@@H]2C 270004a_100009815349_200011215134 [0,1,1,0,0,0|1,1,0]=4 34 B19R2.15506 CCCCCC(=O)C1(CCCCC1)c2cccs2 1458a_100000758228_100000210326 [0,1,1,0,0,0|1,0,0]=3 35 B19R2.15506 CCCCCC(=O)C1(CCOCC1)c2cccs2 1458a_100011689595_100000210326 [0,1,1,0,0,0|2,0,0]=4 36 B19R2.15506 CCCCNC(=O)C1(CCCCC1)c2cccs2 11a_100000102301_100000758228 [0,1,1,0,0,0|2,0,0]=4 37 B19R2.15506 CCCCNC(=O)C1(CCCCC1)c2cccs2 1626a_100000102301_100000758228 [0,1,1,0,0,0|2,0,0]=4 38 B19R2.15506 CCCCNC(=O)C1(CCCCC1)c2cccs2 240690a_100000102301_100000758228 [0,1,1,0,0,0|2,0,0]=4 39 B19R2.15506 CCOCCC(=O)C1(CCCCC1)c2cccs2 1458a_100000758228_100011215890 [0,1,1,0,0,0|2,0,0]=4 40 B19R2.15506 CCSCCC(=O)C1(CCCCC1)c2cccs2 1458a_100000758228_100000757381 [0,1,1,0,0,0|2,0,0]=4 41 B19R2.15506 COCCCC(=O)C1(CCCCC1)c2cccs2 1458a_100000758228_100000740836 [0,1,1,0,0,0|2,0,0]=4 42 B19R2.15506 O=C(CCCCF)C1(CCCCC1)c2cccs2 1458a_100000758228_100000729493 [0,1,1,0,0,0|2,0,0]=4 43 B19R2.15506 O=C(CCCCO)C1(CCCCC1)c2cccs2 1458a_100000758228_100000210776 [0,1,1,0,0,0|2,0,0]=4 44 B19R2.201174 C/C=C/CC(=O)C1(CCCCC1)N2CCCCC2 1458a_200015183787_100102629194 [0,1,1,0,0,0|0,1,1]=4 45 B19R2.201174 C=CCCC(=O)C1(CCCCC1)N2CCCCC2 1458a_200015183787_100000754431 [0,1,1,0,0,0|0,1,1]=4 46 B19R2.201174 C=CCNC(=O)C1(CCCCC1)N2CCCCC2 1626a_100020586998_200015183787 [0,1,1,0,0,0|0,1,1]=4 47 B19R2.201174 C=CCNC(=O)C1(CCCCC1)N2CCCCC2 240690a_100020586998_200015183787 [0,1,1,0,0,0|0,1,1]=4 48 B19R2.201174 CC=CCC(=O)C1(CCCCC1)N2CCCCC2 1458a_200015183787_100000070051 [0,1,1,0,0,0|0,1,1]=4 49 B19R2.470021 C=C(C)CC(=O)C1(CCCCC1)N2CCCCC2 1458a_200015183787_100000748629 [0,1,1,0,0,0|0,1,1]=4 50 B19R2.470021 C=C(F)CC(=O)C1(CCCCC1)N2CCCCC2 1458a_200015183787_100009893438 [0,1,1,0,0,0|0,1,1]=4 51 B19R2.166038 C=CC(=O)NCC1(CCCCC1)N2CCCCC2 1626a_100000199121_100000185746 [0,1,1,0,0,0|1,0,1]=4 52 B19R2.166038 C=CC(=O)NCC1(CCCCC1)N2CCCCC2 240690a_100000199121_200121576911 [0,1,1,0,0,0|1,0,1]=4 53 B19R2.129062 CCC(C)CC(=O)C1(CCCCC1)c2cccs2 1458a_100000758228_100000748023 [0,1,1,0,0,0|2,0,0]=4 54 B19R2.129062 CCC(O)CC(=O)C1(CCCCC1)c2cccs2 1458a_100000758228_100011218378 [0,1,1,0,0,0|2,0,0]=4 55 B19R2.129062 CC[C@H](C)CC(=O)C1(CCCCC1)c2cccs2 1458a_100000758228_100009816398 [0,1,1,0,0,0|2,0,0]=4 56 B19R2.258205 CC(C)CCC(=O)C1(CCCCC1)c2cccs2 1458a_100000758228_100000210312 [0,1,1,0,0,0|2,0,0]=4 57 B19R2.258205 CC(O)CCC(=O)C1(CCCCC1)c2cccs2 1458a_100000758228_100012276601 [0,1,1,0,0,0|2,0,0]=4 58 B19R2.259132 CCCC(C)C(=O)C1(CCCCC1)c2cccs2 1458a_100000758228_100000766640 [0,1,1,0,0,0|2,0,0]=4 59 B21R3.14884912 O=C(C1CCCCC1)C2(CCCCC2)c3cccs3 1458a_100000758228_100000210327 [0,1,0,0,0,1|1,0,0]=3 60 B21R3.14884912 O=C(C1CCCCC1)C2(CCOCC2)c3cccs3 1458a_100011689595_100000210327 [0,1,0,0,0,1|2,0,0]=4 61 B21R3.14884912 O=C(C1CCCOC1)C2(CCCCC2)c3cccs3 1458a_100000758228_100000693364 [0,1,0,0,0,1|2,0,0]=4 62 B21R3.14884912 O=C(C1CCOCC1)C2(CCCCC2)c3cccs3 1458a_100000758228_100011324220 [0,1,0,0,0,1|2,0,0]=4 63 B21R3.14884912 O=C(N1CC=CCC1)C2(CCCCC2)c3cccs3 11a_100000698166_100000758228 [0,1,0,0,0,1|0,0,2]=4 64 B21R3.14884912 O=C(N1CC=CCC1)C2(CCCCC2)c3cccs3 1626a_100000698166_100000758228 [0,1,0,0,0,1|0,0,2]=4 65 B21R3.14884912 O=C(N1CC=CCC1)C2(CCCCC2)c3cccs3 240690a_100000698166_100000758228 [0,1,0,0,0,1|0,0,2]=4 66 B21R3.14884912 O=C(N1CCCOC1)C2(CCCCC2)c3cccs3 11a_100000131196_100000758228 [0,1,0,0,0,1|1,0,0]=3 67 B21R3.14884912 O=C(N1CCCOC1)C2(CCCCC2)c3cccs3 240690a_100000131196_100000758228 [0,1,0,0,0,1|1,0,0]=3 68 B21R3.14884912 O=C(N1CCCOC1)C2(CCOCC2)c3cccs3 11a_100000131196_100011689595 [0,1,0,0,0,1|2,0,0]=4 69 B21R3.14884912 O=C(N1CCCOC1)C2(CCOCC2)c3cccs3 240690a_100000131196_100011689595 [0,1,0,0,0,1|2,0,0]=4 70 B21R3.14884912 O=C(N1CCOCC1)C2(CCCCC2)c3cccs3 11a_100015191051_100000758228 [0,1,0,0,0,1|1,0,0]=3 71 B21R3.14884912 O=C(N1CCOCC1)C2(CCCCC2)c3cccs3 1626a_100015191051_100000758228 [0,1,0,0,0,1|1,0,0]=3 72 B21R3.14884912 O=C(N1CCOCC1)C2(CCCCC2)c3cccs3 240690a_100015191051_100000758228 [0,1,0,0,0,1|1,0,0]=3 73 B21R3.14884912 O=C(N1CCOCC1)C2(CCOCC2)c3cccs3 11a_100015191051_100011689595 [0,1,0,0,0,1|2,0,0]=4 74 B21R3.14884912 O=C(N1CCOCC1)C2(CCOCC2)c3cccs3 1626a_100015191051_100011689595 [0,1,0,0,0,1|2,0,0]=4 75 B21R3.14884912 O=C(N1CCOCC1)C2(CCOCC2)c3cccs3 240690a_100015191051_100011689595 [0,1,0,0,0,1|2,0,0]=4 76 B21R3.14884912 O=C(N1CCSCC1)C2(CCCCC2)c3cccs3 11a_100000737611_100000758228 [0,1,0,0,0,1|1,0,0]=3 77 B21R3.14884912 O=C(N1CCSCC1)C2(CCCCC2)c3cccs3 240690a_100000737611_100000758228 [0,1,0,0,0,1|1,0,0]=3 78 B21R3.14884912 O=C(N1CCSCC1)C2(CCOCC2)c3cccs3 11a_100000737611_100011689595 [0,1,0,0,0,1|2,0,0]=4 79 B21R3.14884912 O=C(N1CCSCC1)C2(CCOCC2)c3cccs3 240690a_100000737611_100011689595 [0,1,0,0,0,1|2,0,0]=4 80 B17R1.4030 CCCCCC(c1ccco1)N(CC)CCC 270004a_100000226822_200011215134 [0,0,2,0,0,0|0,1,0]=3 81 B17R1.4030 CCCCCC(c1ccco1)N(CC)CCO 270004a_100000210973_200011215134 [0,0,2,0,0,0|1,1,0]=4 82 B17R1.29061 CCCCCC(NCCCCO)c1ccco1 269862a_100000750430_200011215134 [0,0,2,0,0,0|1,1,0]=4 83 B17R1.29061 CCCCCC(NCCCCO)c1ccco1 270004a_100000750430_200011215134 [0,0,2,0,0,0|1,1,0]=4 84 B17R1.29061 CCCCCC(NCCCOC)c1ccco1 269862a_100150723488_200011215134 [0,0,2,0,0,0|1,1,0]=4 85 B17R1.29061 CCCCCC(NCCCOC)c1ccco1 270004a_100150723488_200011215134 [0,0,2,0,0,0|1,1,0]=4 86 B17R1.29061 CCCCCC(NCCCSC)c1ccco1 269862a_100000749238_200011215134 [0,0,2,0,0,0|1,1,0]=4 87 B17R1.29061 CCCCCC(NCCCSC)c1ccco1 270004a_100000749238_200011215134 [0,0,2,0,0,0|1,1,0]=4 88 B17R1.29061 CCCCCC(NCCOCC)c1ccco1 269862a_100011200944_200011215134 [0,0,2,0,0,0|1,1,0]=4 89 B17R1.29061 CCCCCC(NCCOCC)c1ccco1 270004a_102516460346_200011215134 [0,0,2,0,0,0|1,1,0]=4 90 B17R1.29061 CCCCCC(NCCSCC)c1ccco1 269862a_100000106463_200011215134 [0,0,2,0,0,0|1,1,0]=4 91 B17R1.29061 CCCCCC(NCCSCC)c1ccco1 270004a_100000106463_200011215134 [0,0,2,0,0,0|1,1,0]=4 92 B17R1.29061 CCCCCCC(NCCCC)c1cccs1 269862a_100000102301_200011217069 [0,0,2,0,0,0|2,0,0]=4 93 B17R1.29061 CCCCCNC(CCCCC)c1ccco1 269862a_100000209983_200011215134 [0,0,2,0,0,0|0,1,0]=3 94 B17R1.29061 CCCCCNC(CCCCC)c1ccco1 270004a_100000209983_200011215134 [0,0,2,0,0,0|0,1,0]=3 95 B17R1.33951 CCCCCC(c1ccco1)N(C)CCCC 270004a_100000207549_200011215134 [0,0,2,0,0,0|0,1,0]=3 96 B17R1.33951 CCCCCC(c1ccco1)N(C)CCCO 270004a_100000213112_200011215134 [0,0,2,0,0,0|1,1,0]=4 97 B17R1.33951 CCCCCC(c1ccco1)N(C)CCOC 270004a_100000743101_200011215134 [0,0,2,0,0,0|1,1,0]=4 98 B17R1.33951 CCCCCC(c1ccco1)N(C)CCSC 270004a_100000686725_200011215134 [0,0,2,0,0,0|1,1,0]=4 99 B19R3.1702862 CCCCCC(c1ccco1)N2CC3CC3C2 270004a_100000741873_200011215134 [0,0,1,1,0,0|0,1,0]=3 100 B19R3.10961 CCCN1CCc2nc[nH]c2C13CCCCC3 2230a_100102525017_100000210303 [0,0,1,1,0,0|2,0,0]=4 101 B19R3.10961 CCCN1CCc2nc[nH]c2C13CCCCC3 34a_100102525017_100000210303 [0,0,1,1,0,0|2,0,0]=4 102 B19R3.10961 CCCN1CCn2cccc2C13CCCCC3 2230a_100000117664_100000210303 [0,0,1,1,0,0|1,0,0]=3 103 B19R3.10961 CCCN1CCn2cccc2C13CCCCC3 34a_100000117664_100000210303 [0,0,1,1,0,0|1,0,0]=3 104 B19R3.10961 COCN1CCn2cccc2C13CCCCC3 2230a_100000117664_100000766300 [0,0,1,1,0,0|2,0,0]=4 105 B19R3.10961 CSCN1CCn2cccc2C13CCCCC3 2230a_100000117664_100011218213 [0,0,1,1,0,0|2,0,0]=4 106 B19R3.10961 CSCN1CCn2cccc2C13CCCCC3 34a_100000117664_100011218213 [0,0,1,1,0,0|2,0,0]=4 107 B19R3.10961 FCCN1CCn2cccc2C13CCCCC3 2230a_100000117664_100011217306 [0,0,1,1,0,0|2,0,0]=4 108 B19R3.10961 FCCN1CCn2cccc2C13CCCCC3 34a_100000117664_100011217306 [0,0,1,1,0,0|2,0,0]=4 109 B19R3.10961 OCCN1CCn2cccc2C13CCCCC3 2230a_100000117664_100000211926 [0,0,1,1,0,0|2,0,0]=4 110 B19R3.10961 OCCN1CCn2cccc2C13CCCCC3 34a_100000117664_100000211926 [0,0,1,1,0,0|2,0,0]=4 111 B19R3.3954822 O=C(C1CCC1)C2(CCCCC2)c3cccs3 1458a_100000758228_100000749161 [0,0,1,1,0,0|2,0,0]=4 112 B19R3.10821595 O=C(CC1CC1)C2(CCCCC2)c3cccs3 1458a_100000758228_100000742324 [0,0,1,1,0,0|2,0,0]=4 113 B17R2.8530 CCCCCC(c1ccco1)N2CCCC2 270004a_100000188435_200011215134 [0,0,1,0,1,0|0,1,0]=3 114 B17R2.8530 CCCCCC(c1ccco1)N2CCSC2 270004a_100011215254_200011215134 [0,0,1,0,1,0|1,1,0]=4 115 B17R2.74364 CCCCC(=O)C1(CCCC1)c2cccs2 1458a_100011689598_100000210211 [0,0,1,0,1,0|2,0,0]=4 116 B19R2.422 CCCCCC(NC1CCCCC1)c2ccco2 269862a_100000182618_200011215134 [0,0,1,0,0,1|1,1,0]=4 117 B19R2.422 CCCCCC(NC1CCCCC1)c2ccco2 270004a_100000182618_200011215134 [0,0,1,0,0,1|1,1,0]=4 118 B19R2.2467 CCCCCN(Cc1cccs1)C2CCCCC2 2230a_200000186796_100000210326 [0,0,1,0,0,1|2,0,0]=4 119 B19R2.2467 CCCCCN(Cc1cccs1)C2CCCCC2 269982a_200000186796_100000210215 [0,0,1,0,0,1|2,0,0]=4 120 B19R2.2467 CCCCCN(Cc1cccs1)C2CCCCC2 34a_200000186796_100000718602 [0,0,1,0,0,1|2,0,0]=4 121 B19R2.121759 CCCCCC(c1ccco1)N2CCCCCC2 270004a_100000185865_200011215134 [0,0,1,0,0,1|0,1,0]=3 122 B19R2.121759 CCCCCC(c1ccco1)N2CCCOCC2 270004a_100000685342_200011215134 [0,0,1,0,0,1|0,1,0]=3 123 B21R3.47816 c1ccc(cc1)C2(CCCCC2)OC3CCCCC3 34a_100011219906_100000210327 [0,0,0,0,0,2|2,0,0]=4 124 B21R3.47816 c1ccc(cc1)C2(CCCCC2)OC3CCCCC3 7a_100011219906_100000210327 [0,0,0,0,0,2|2,0,0]=4 125 B21R3.2430012 c1nnc(s1)NC2(CCCCC2)CN3CCCCC3 27a_200011233491_100000739804 [0,0,0,0,0,2|2,0,0]=4 126 B21R3.2430012 c1nsc(n1)NC2(CCCCC2)CN3CCCCC3 27a_200011233491_100000693119 [0,0,0,0,0,2|2,0,0]=4 127 B21R3.13902945 c1nnc(s1)NCC2(CCCCC2)N3CCCCC3 27a_100000199121_100000739804 [0,0,0,0,0,2|2,0,0]=4 128 B21R3.13902945 c1nsc(n1)NCC2(CCCCC2)N3CCCCC3 27a_100000199121_100000693119 [0,0,0,0,0,2|2,0,0]=4