0 B20R2.895412 CCOC(CSc1cccc2c1CC(=O)N2)OCC 62a_100000210512_100009816812 [0,0,0,0,0,0|4,0,0]=4 1 B19R2.1095325 CCCC(CCC)NCc1cccc2c1cc[nH]2 207a_100011207992_100000750904 [1,0,0,0,0,0|2,0,1]=4 2 B19R2.1095325 CCCC(CCC)NCc1cccc2c1cc[nH]2 270004a_100011912549_100000210088 [1,0,0,0,0,0|2,0,1]=4 3 B19R1.86581 CCCC(CCC)NCc1ccccc1CC(=O)O 269956a_100000688124_200011218217 [0,0,1,0,0,0|3,0,0]=4 4 B19R1.317226 CCCC(CCC)NCc1cccc(c1)NC(=O)C 207a_100011207992_100011257792 [0,0,1,0,0,0|2,0,0]=3 5 B19R1.317226 CCCC(CCC)NCc1cccc(c1)NC(=O)C 270004a_100000740035_100000210088 [0,0,1,0,0,0|2,0,0]=3 6 B19R1.317226 CCCC(CCC)NCc1cccc(c1)NC(=O)C 270004a_100011207992_100011257792 [0,0,1,0,0,0|2,0,0]=3 7 B19R1.317226 CCCC(CCC)NCc1cccc(c1)NC(=O)C 34a_100000740035_200011218217 [0,0,1,0,0,0|2,0,0]=3 8 B19R1.317226 CCCC(CCC)NCc1cccc(c1)OC(=O)C 207a_100011207992_100000014719 [0,0,1,0,0,0|3,0,0]=4 9 B19R1.317226 CCCC(CCC)NCc1cccc(c1)OC(=O)C 2230a_100011207992_200009816940 [0,0,1,0,0,0|3,0,0]=4 10 B19R1.317226 CCCC(CCC)NCc1cccc(c1)OC(=O)C 270004a_100011207992_100000014719 [0,0,1,0,0,0|3,0,0]=4 11 B19R1.317226 CCCC(CCC)NCc1cccc(c1)OC(=O)C 34a_100011207992_200009816940 [0,0,1,0,0,0|3,0,0]=4 12 B19R1.317226 CCCC(CCC)OCc1cccc(c1)OC(=O)C 34a_200011218534_200009816940 [0,0,1,0,0,0|3,0,0]=4 13 B19R1.317226 CCCC(CCC)OCc1cccc(c1)OC(=O)C 7a_200011218534_200009816940 [0,0,1,0,0,0|3,0,0]=4 14 B19R1.317226 CCCC(CCC)SCc1cccc(c1)OC(=O)C 62a_200009816940_200011218217 [0,0,1,0,0,0|3,0,0]=4 15 B19R1.317226 CCCC(CCC)SCc1cccc(c1)OC(=O)C 62a_200011218217_200009816940 [0,0,1,0,0,0|3,0,0]=4 16 B19R1.317226 CCC[C@@H](CCO)NCc1cccc(c1)NC(=O)C 207a_100015193777_100011257792 [0,0,1,0,0,0|3,0,0]=4 17 B19R1.317226 CCC[C@@H](CCO)NCc1cccc(c1)NC(=O)C 270004a_100015193777_100011257792 [0,0,1,0,0,0|3,0,0]=4 18 B21R3.466576 O=C1Cc2c(cccc2SCC3CCCCCC3)N1 62a_200000696569_100009816812 [0,0,0,1,0,0|2,0,0]=3 19 B21R3.466576 O=C1Cc2c(ccnc2N1)SCC3CCCCCC3 62a_200000696569_100000104061 [0,0,0,1,0,0|3,0,0]=4 20 B21R3.466576 O=C1Cc2cccc(c2C1)SCC3CCCCCC3 62a_100010205903_200000696569 [0,0,0,1,0,0|3,0,0]=4 21 B21R3.469442 CN1CCCC(C1)CSc2cccc3c2CC(=O)N3 62a_100000752043_100009816812 [0,0,0,1,0,0|3,0,0]=4 22 B19R2.1102600 CCCC(CCC)Sc1cccc2c1CC(=O)C2 62a_100010205903_200011218217 [0,0,0,0,1,0|3,0,0]=4 23 B19R2.1102600 CCCC(CCC)Sc1cccc2c1CC(=O)N2 62a_200011218217_100009816812 [0,0,0,0,1,0|2,0,0]=3 24 B19R2.1102600 CCCC(CCC)Sc1ccnc2c1CC(=O)N2 62a_200011218217_100000104061 [0,0,0,0,1,0|3,0,0]=4 25 B18R1.11860 CCCC(CC)NCc1cccc(c1)NC(=O)C 207a_100000747048_100011257792 [1,0,1,0,0,0|2,0,0]=4 26 B18R1.11860 CCCC(CC)NCc1cccc(c1)NC(=O)C 270004a_100000740035_100000687865 [1,0,1,0,0,0|2,0,0]=4 27 B18R1.11860 CCCC(CC)NCc1cccc(c1)NC(=O)C 270004a_100000747048_100011257792 [1,0,1,0,0,0|2,0,0]=4 28 B18R2.69387 CCC(CC)CSc1cccc2c1CC(=O)N2 62a_100011215472_100009816812 [2,0,0,0,0,0|2,0,0]=4 29 B18R2.124423 CCCC(C)CSc1cccc2c1CC(=O)N2 62a_100011216630_100009816812 [2,0,0,0,0,0|2,0,0]=4 30 B20R2.828499 CCCCC(CC)CSc1cccc2c1CC(=O)N2 62a_100000211942_100009816812 [1,1,0,0,0,0|2,0,0]=4 31 B20R2.2094834 CCCN(CCC)C(=O)Cc1cccc2c1cc[nH]2 11a_100000210455_100000094506 [1,1,0,0,0,0|0,0,2]=4 32 B20R2.2094834 CCCN(CCC)C(=O)Cc1cccc2c1cc[nH]2 527a_100000210455_100000094506 [1,1,0,0,0,0|0,0,2]=4 33 B20R2.2095057 CCCN(CCC)C(=O)c1cccc2c1CC(=O)N2 240690a_100000210455_100000098511 [0,1,0,0,1,0|0,0,1]=3 34 B20R2.2095057 CCCN(CCC)C(=O)c1cccc2c1CC(=O)N2 527a_100000210455_100000098511 [0,1,0,0,1,0|0,0,1]=3 35 B20R2.2095057 CCCN(CCO)C(=O)c1cccc2c1CC(=O)N2 240690a_100000211420_100000098511 [0,1,0,0,1,0|1,0,1]=4 36 B20R2.2748708 CCCCC(CCC)Sc1cccc2c1CC(=O)N2 62a_100000211913_100009816812 [0,1,0,0,1,0|2,0,0]=4 37 B20R2.11744887 CCCC(CCC)Sc1c(ccc2c1CC(=O)N2)C 62a_200011218217_100015548004 [0,1,0,0,1,0|2,0,0]=4 38 B20R2.11812527 CCCC(CCC)Sc1ccc(c2c1CC(=O)N2)F 62a_200011218217_100012355367 [0,1,0,0,1,0|2,0,0]=4 39 B20R2.262290 NC(=O)Cc1ccccc1SCC2CCCCCC2 62a_200000696569_200009814924 [0,0,1,1,0,0|2,0,0]=4 40 B20R2.262290 NC(=O)Cc1ccccc1SCC2CCCCCC2 62a_200009814924_200000696569 [0,0,1,1,0,0|2,0,0]=4 41 B20R2.153913 CC(=O)Nc1cccc(c1)CNC2CCCC(C2)C 207a_100011194320_100011257792 [0,0,1,1,0,0|2,0,0]=4 42 B20R2.153913 CC(=O)Nc1cccc(c1)CNC2CCCC(C2)C 270004a_100000740035_100000183594 [0,0,1,1,0,0|2,0,0]=4 43 B20R2.153913 CC(=O)Nc1cccc(c1)CNC2CCCC(C2)C 270004a_100011194320_100011257792 [0,0,1,1,0,0|2,0,0]=4 44 B20R2.153913 CC(=O)Nc1cccc(c1)COC2CCCC(C2)C 11a_100000314190_100015343762 [0,0,1,1,0,0|2,0,0]=4 45 B20R2.153913 CC(=O)Nc1cccc(c1)COC2CCCC(C2)C 1626a_100000314190_100015343762 [0,0,1,1,0,0|2,0,0]=4 46 B20R2.153913 CC(=O)Nc1cccc(c1)COC2CCCC(C2)C 22a_100000314190_100000070787 [0,0,1,1,0,0|2,0,0]=4 47 B20R2.153913 CC(=O)Nc1cccc(c1)COC2CCCC(C2)C 527a_100000314190_100103153847 [0,0,1,1,0,0|2,0,0]=4 48 B20R2.261569 CC(=O)Nc1cccc(c1)CNC2CCCCCC2 207a_100000210984_100011257792 [0,0,1,1,0,0|2,0,0]=4 49 B20R2.261569 CC(=O)Nc1cccc(c1)CNC2CCCCCC2 270004a_100000210984_100011257792 [0,0,1,1,0,0|2,0,0]=4 50 B20R2.261569 CC(=O)Nc1cccc(c1)CNC2CCCCCC2 270004a_100000740035_100000210131 [0,0,1,1,0,0|2,0,0]=4 51 B20R2.261569 CC(=O)Nc1cccc(c1)CNC2CCCCCC2 34a_100000740035_100011217769 [0,0,1,1,0,0|2,0,0]=4 52 B20R2.261569 CC(=O)Nc1cccc(c1)NCC2CCCCCC2 34a_100000749408_200000696569 [0,0,1,1,0,0|2,0,0]=4 53 B20R2.261569 CC(=O)Nc1cccc(c1)OCC2CCCCCC2 34a_100000158604_200000696569 [0,0,1,1,0,0|2,0,0]=4 54 B20R2.261569 CC(=O)Nc1cccc(c1)OCC2CCCCCC2 7a_100000158604_200000696569 [0,0,1,1,0,0|2,0,0]=4 55 B20R2.261569 CC(=O)Nc1cccc(c1)SCC2CCCCCC2 62a_200000696569_100000153616 [0,0,1,1,0,0|2,0,0]=4 56 B20R2.273201 CCC1CCCC1NCc2cccc(c2)NC(=O)C 269862a_100000740035_100000749056 [0,0,1,1,0,0|2,0,0]=4 57 B20R2.273201 CCC1CCCC1NCc2cccc(c2)NC(=O)C 270004a_100000740035_100000749056 [0,0,1,1,0,0|2,0,0]=4 58 B20R3.14321 O=C1Cc2c(cccc2SCC3CCCCC3)N1 62a_100000211423_100009816812 [1,0,0,1,0,0|2,0,0]=4 59 B20R3.296919 O=C1Cc2c(cccc2SC3CCCCCC3)N1 62a_100011217769_100009816812 [0,0,0,1,1,0|2,0,0]=4 60 B18R1.24023 CCCC(CCC)Sc1ccccc1CC(=O)N 62a_200009814924_200011218217 [0,0,1,0,1,0|2,0,0]=4 61 B18R1.24023 CCCC(CCC)Sc1ccccc1CC(=O)N 62a_200011218217_200009814924 [0,0,1,0,1,0|2,0,0]=4 62 B18R1.24023 CCCN(CCC)Cc1ccccc1OC(=O)C 270004a_100000210455_100009864558 [0,0,1,0,1,0|2,0,0]=4 63 B18R1.60291 CCCN(CCC)CCc1ccccc1[N+](=O)[O-] 2230a_100000210455_200011934512 [0,0,1,0,1,0|2,0,0]=4 64 B18R1.60291 CCCN(CCC)CCc1ccccc1[N+](=O)[O-] 269982a_100000210455_200011934512 [0,0,1,0,1,0|2,0,0]=4 65 B18R1.24015 CC(=O)Nc1cccc(c1)CN(CCO)CCO 270004a_100000210587_100011257792 [0,0,1,0,1,0|2,0,0]=4 66 B18R1.24015 CCCC(CCC)Nc1cccc(c1)NC(=O)C 34a_100000749408_200011218217 [0,0,1,0,1,0|2,0,0]=4 67 B18R1.24015 CCCC(CCC)Oc1cccc(c1)NC(=O)C 34a_100000158604_200011218217 [0,0,1,0,1,0|2,0,0]=4 68 B18R1.24015 CCCC(CCC)Oc1cccc(c1)NC(=O)C 7a_100000158604_200011218217 [0,0,1,0,1,0|2,0,0]=4 69 B18R1.24015 CCCC(CCC)Sc1cccc(c1)NC(=O)C 62a_200011218217_100000153616 [0,0,1,0,1,0|2,0,0]=4 70 B18R1.24015 CCCN(CCC)Cc1cccc(c1)NC(=O)C 270004a_100000210455_100011257792 [0,0,1,0,1,0|0,0,0]=2 71 B18R1.24015 CCCN(CCC)Cc1cccc(c1)OC(=O)C 2230a_100000210455_200009816940 [0,0,1,0,1,0|1,0,0]=3 72 B18R1.24015 CCCN(CCC)Cc1cccc(c1)OC(=O)C 269982a_100000210455_200009816940 [0,0,1,0,1,0|1,0,0]=3 73 B18R1.24015 CCCN(CCC)Cc1cccc(c1)OC(=O)C 270004a_100000210455_100000014719 [0,0,1,0,1,0|1,0,0]=3 74 B18R1.24015 CCCN(CCO)Cc1cccc(c1)NC(=O)C 270004a_100000211420_100011257792 [0,0,1,0,1,0|1,0,0]=3 75 B18R1.24015 CCCN(CCO)Cc1cccc(c1)OC(=O)C 2230a_100000211420_200009816940 [0,0,1,0,1,0|2,0,0]=4 76 B18R1.24015 CCCN(CCO)Cc1cccc(c1)OC(=O)C 269982a_100000211420_200009816940 [0,0,1,0,1,0|2,0,0]=4 77 B18R1.24015 CCCN(CCO)Cc1cccc(c1)OC(=O)C 270004a_100000211420_100000014719 [0,0,1,0,1,0|2,0,0]=4 78 B18R1.197234 CCCC(CCC)NCc1cccc(c1)C(=O)C 2230a_100011207992_100000084091 [0,0,1,0,1,0|2,0,0]=4 79 B18R1.197234 CCCC(CCC)NCc1cccc(c1)C(=O)C 34a_100011207992_100000084091 [0,0,1,0,1,0|2,0,0]=4 80 B18R1.197234 CCCC(CCC)OCc1cccc(c1)C(=O)C 34a_200011218534_100000084091 [0,0,1,0,1,0|2,0,0]=4 81 B18R1.197234 CCCC(CCC)OCc1cccc(c1)C(=O)C 7a_200011218534_100000084091 [0,0,1,0,1,0|2,0,0]=4 82 B18R1.197234 CCCN(CCC)CCc1cccc(c1)[N+](=O)[O-] 2230a_100000210455_100011935270 [0,0,1,0,1,0|2,0,0]=4 83 B18R1.197234 CCCN(CCC)CCc1cccc(c1)[N+](=O)[O-] 269982a_100000210455_100011935270 [0,0,1,0,1,0|2,0,0]=4 84 B18R2.34498 CCCC(CC)Sc1cccc2c1CC(=O)N2 62a_100011219200_100009816812 [1,0,0,0,1,0|2,0,0]=4 85 B18R2.600708 CCCN(CCC)Cc1cccc2c1CCC2 26a_100000210455_100000074356 [1,0,0,0,1,0|1,0,1]=4 86 B18R2.600708 CCCN(CCC)Cc1cccc2c1CCO2 26a_100000210455_100000090053 [1,0,0,0,1,0|1,0,1]=4 87 B18R2.600708 CCCN(CCC)Cc1cccc2c1CCO2 270004a_100000210455_100000045544 [1,0,0,0,1,0|1,0,1]=4 88 B18R2.600708 CCCN(CCC)Cc1cccc2c1[nH]cc2 270004a_100000210455_100000750900 [1,0,0,0,1,0|2,0,0]=4 89 B18R2.600708 CCCN(CCC)Cc1cccc2c1[nH]cn2 270004a_100000210455_100000100021 [1,0,0,0,1,0|1,0,1]=4 90 B18R2.600708 CCCN(CCC)Cc1cccc2c1ccs2 270004a_100000210455_100009860987 [1,0,0,0,1,0|1,0,1]=4 91 B18R2.600708 CCCN(CCC)Cc1cccc2c1cn[nH]2 2230a_100000210455_100020636439 [1,0,0,0,1,0|1,0,1]=4 92 B18R2.600708 CCCN(CCC)Cc1cccc2c1cn[nH]2 269982a_100000210455_100020636439 [1,0,0,0,1,0|1,0,1]=4 93 B18R2.600708 CCCN(CCC)Cc1cccc2c1cn[nH]2 26a_100000210455_100000050265 [1,0,0,0,1,0|1,0,1]=4 94 B18R2.600708 CCCN(CCC)Cc1cccc2c1cn[nH]2 270004a_100000210455_100000068380 [1,0,0,0,1,0|1,0,1]=4 95 B18R2.600708 CCCN(CCC)Cc1cccc2c1ncs2 2230a_100000210455_100010883896 [1,0,0,0,1,0|2,0,0]=4 96 B18R2.600708 CCCN(CCC)Cc1cccc2c1ncs2 269982a_100000210455_100010883896 [1,0,0,0,1,0|2,0,0]=4 97 B18R2.600708 CCCN(CCC)Cc1cccc2c1occ2 270004a_100000210455_100000050329 [1,0,0,0,1,0|2,0,0]=4 98 B18R2.600708 CCCN(CCC)Cc1cccc2c1scc2 2230a_100000210455_100009816938 [1,0,0,0,1,0|2,0,0]=4 99 B18R2.600708 CCCN(CCC)Cc1cccc2c1scc2 269982a_100000210455_100009816938 [1,0,0,0,1,0|2,0,0]=4 100 B18R2.600708 CCCN(CCC)Cc1cccc2c1scc2 270004a_100000210455_100011934923 [1,0,0,0,1,0|2,0,0]=4 101 B20R2.910940 CCCN(CCC)CCNc1ccnc2c1nc[nH]2 27a_100011200929_100009820729 [1,0,0,0,0,1|2,0,0]=4 102 B20R2.910175 CCCC(CCC)Oc1cccc2c1CCC(=O)N2 34a_100000066681_200011218217 [0,0,0,0,1,1|2,0,0]=4 103 B20R2.910175 CCCC(CCC)Oc1cccc2c1CCC(=O)N2 7a_100000066681_200011218217 [0,0,0,0,1,1|2,0,0]=4 104 B20R2.910175 CCCC(CCC)Sc1cccc2c1CCC(=O)N2 62a_100010232564_200011218217 [0,0,0,0,1,1|2,0,0]=4 105 B20R2.910175 CCCC(CCC)Sc1cccc2c1CCC(=O)N2 62a_200011218217_100010232564 [0,0,0,0,1,1|2,0,0]=4