0 B19R3.5942 C=C1CC(C1)NC(C)c2coc3c2cccc3 269862a_100132301982_100000751042 [0,0,0,0,0,0|1,0,1]=2 1 B19R3.5942 C=C1CC(C1)NC(C)c2csc3c2cccc3 269862a_100132301982_100000689785 [0,0,0,0,0,0|1,1,1]=3 2 B19R3.5942 C=C1CC(C1)NC(C)c2n[nH]c3c2cccc3 269862a_100132301982_100000087549 [0,0,0,0,0,0|3,0,1]=4 3 B19R3.5942 CC(NC1CN(C1)C)c2coc3c2cccc3 269862a_100015196640_100000751042 [0,0,0,0,0,0|2,0,0]=2 4 B19R3.5942 CC(NC1CN(C1)C)c2csc3c2cccc3 269862a_100015196640_100000689785 [0,0,0,0,0,0|2,1,0]=3 5 B19R3.5942 CC(NC1CN(C1)C)c2n[nH]c3c2cccc3 269862a_100015196640_100000087549 [0,0,0,0,0,0|4,0,0]=4 6 B19R3.5942 CC(N[C@H]1C[C@@H](C1)O)c2coc3c2cccc3 269862a_100020629032_100000751042 [0,0,0,0,0,0|0,0,0]=0 7 B19R3.5942 CC(N[C@H]1C[C@@H](C1)O)c2csc3c2cccc3 269862a_100020629032_100000689785 [0,0,0,0,0,0|0,1,0]=1 8 B19R3.5942 CC(N[C@H]1C[C@@H](C1)O)c2n[nH]c3c2cccc3 269862a_100020629032_100000087549 [0,0,0,0,0,0|2,0,0]=2 9 B19R3.5942 O=C(CN1CC(C1)O)c2coc3c2cccc3 269982a_100000749847_100000233777 [0,0,0,0,0,0|3,0,1]=4 10 B19R3.5942 O=C(NC1CC(C1)F)C2=CCc3c2cccc3 11a_100016993743_100000037392 [0,0,0,0,0,0|3,0,1]=4 11 B19R3.5942 O=C(NC1CC(C1)F)C2=CCc3c2cccc3 1626a_100016993743_100000037392 [0,0,0,0,0,0|3,0,1]=4 12 B19R3.5942 O=C(NC1CC(C1)F)C2=CCc3c2cccc3 240690a_100016993743_100000037392 [0,0,0,0,0,0|3,0,1]=4 13 B19R3.5942 O=C(N[C@H]1C[C@@H](C1)O)C2=CCc3c2cccc3 11a_100020629032_100000037392 [0,0,0,0,0,0|2,0,1]=3 14 B19R3.5942 O=C(N[C@H]1C[C@@H](C1)O)C2=CCc3c2cccc3 1626a_100020629032_100000037392 [0,0,0,0,0,0|2,0,1]=3 15 B19R3.5942 O=C(N[C@H]1C[C@@H](C1)O)C2=CCc3c2cccc3 240690a_100020629032_100000037392 [0,0,0,0,0,0|2,0,1]=3 16 B19R3.5942 O=C(N[C@H]1C[C@@H](C1)O)C2C=Cc3c2cccc3 1626a_100020629032_200009832160 [0,0,0,0,0,0|2,0,2]=4 17 B19R3.5942 O=C(N[C@H]1C[C@@H](C1)O)C2C=Cc3c2cccc3 240690a_100020629032_200009832160 [0,0,0,0,0,0|2,0,2]=4 18 B19R3.5942 O=C(N[C@H]1C[C@@H](C1)O)C2C=Cc3c2cccc3 527a_100020629032_200009832160 [0,0,0,0,0,0|2,0,2]=4 19 B18R3.4298 C=C1CC(C1)NCc2coc3c2cccc3 207a_100132301982_100000688544 [1,0,0,0,0,0|1,0,1]=3 20 B18R3.4298 C=C1CC(C1)NCc2coc3c2cccc3 270004a_100132301982_100000688544 [1,0,0,0,0,0|1,0,1]=3 21 B18R3.4298 C=C1CC(C1)NCc2csc3c2cccc3 207a_100132301982_100000239721 [1,0,0,0,0,0|1,1,1]=4 22 B18R3.4298 C=C1CC(C1)NCc2csc3c2cccc3 2230a_100132301982_200000742921 [1,0,0,0,0,0|1,1,1]=4 23 B18R3.4298 C=C1CC(C1)NCc2csc3c2cccc3 270004a_100132301982_100000239721 [1,0,0,0,0,0|1,1,1]=4 24 B18R3.4298 CN1CC(C1)NCc2coc3c2cccc3 270004a_100015196640_100000688544 [1,0,0,0,0,0|2,0,0]=3 25 B18R3.4298 CN1CC(C1)NCc2csc3c2cccc3 270004a_100015196640_100000239721 [1,0,0,0,0,0|2,1,0]=4 26 B18R3.4298 FC1CC(C1)NCc2c[nH]c3c2ccnc3 270004a_100016993743_100000087688 [1,0,0,0,0,0|3,0,0]=4 27 B18R3.4298 FC1CC(C1)NCc2cnc3n2cccc3 207a_100016993743_100000052358 [1,0,0,0,0,0|3,0,0]=4 28 B18R3.4298 FC1CC(C1)NCc2cnc3n2cccc3 270004a_100016993743_100000052358 [1,0,0,0,0,0|3,0,0]=4 29 B18R3.4298 FC1CC(C1)NCc2cnn3c2cccc3 207a_100016993743_100011787723 [1,0,0,0,0,0|3,0,0]=4 30 B18R3.4298 FC1CC(C1)NCc2cnn3c2cccc3 270004a_100016993743_100011787723 [1,0,0,0,0,0|3,0,0]=4 31 B18R3.4298 FC1CC(C1)NCc2coc3c2cccc3 207a_100016993743_100000688544 [1,0,0,0,0,0|1,0,0]=2 32 B18R3.4298 FC1CC(C1)NCc2coc3c2cccc3 270004a_100016993743_100000688544 [1,0,0,0,0,0|1,0,0]=2 33 B18R3.4298 FC1CC(C1)NCc2csc3c2cccc3 207a_100016993743_100000239721 [1,0,0,0,0,0|1,1,0]=3 34 B18R3.4298 FC1CC(C1)NCc2csc3c2cccc3 2230a_100016993743_200000742921 [1,0,0,0,0,0|1,1,0]=3 35 B18R3.4298 FC1CC(C1)NCc2csc3c2cccc3 270004a_100016993743_100000239721 [1,0,0,0,0,0|1,1,0]=3 36 B18R3.4298 FC1CC(C1)NCc2n[nH]c3c2cccc3 207a_100016993743_100000059708 [1,0,0,0,0,0|3,0,0]=4 37 B18R3.4298 FC1CC(C1)NCc2n[nH]c3c2cccc3 270004a_100016993743_100000059708 [1,0,0,0,0,0|3,0,0]=4 38 B18R3.4298 OC1CN(C1)CCc2c[nH]c3c2cccc3 269982a_100000749847_100011218569 [1,0,0,0,0,0|3,0,0]=4 39 B18R3.4298 O[C@H]1C[C@@H](C1)NCc2c[nH]c3c2ccnc3 270004a_100020629032_100000087688 [1,0,0,0,0,0|2,0,0]=3 40 B18R3.4298 O[C@H]1C[C@@H](C1)NCc2cnc3n2cccc3 207a_100020629032_100000052358 [1,0,0,0,0,0|2,0,0]=3 41 B18R3.4298 O[C@H]1C[C@@H](C1)NCc2cnc3n2cccc3 270004a_100020629032_100000052358 [1,0,0,0,0,0|2,0,0]=3 42 B18R3.4298 O[C@H]1C[C@@H](C1)NCc2cnc3n2cccn3 270004a_100020629032_100000059808 [1,0,0,0,0,0|3,0,0]=4 43 B18R3.4298 O[C@H]1C[C@@H](C1)NCc2cnc3n2nccc3 270004a_100020629032_200000102391 [1,0,0,0,0,0|3,0,0]=4 44 B18R3.4298 O[C@H]1C[C@@H](C1)NCc2cnn3c2cccc3 207a_100020629032_100011787723 [1,0,0,0,0,0|2,0,0]=3 45 B18R3.4298 O[C@H]1C[C@@H](C1)NCc2cnn3c2cccc3 270004a_100020629032_100011787723 [1,0,0,0,0,0|2,0,0]=3 46 B18R3.4298 O[C@H]1C[C@@H](C1)NCc2coc3c2cccc3 207a_100020629032_100000688544 [1,0,0,0,0,0|0,0,0]=1 47 B18R3.4298 O[C@H]1C[C@@H](C1)NCc2coc3c2cccc3 270004a_100020629032_100000688544 [1,0,0,0,0,0|0,0,0]=1 48 B18R3.4298 O[C@H]1C[C@@H](C1)NCc2csc3c2cccc3 207a_100020629032_100000239721 [1,0,0,0,0,0|0,1,0]=2 49 B18R3.4298 O[C@H]1C[C@@H](C1)NCc2csc3c2cccc3 2230a_100020629032_200000742921 [1,0,0,0,0,0|0,1,0]=2 50 B18R3.4298 O[C@H]1C[C@@H](C1)NCc2csc3c2cccc3 270004a_100020629032_100000239721 [1,0,0,0,0,0|0,1,0]=2 51 B18R3.4298 O[C@H]1C[C@@H](C1)NCc2n[nH]c3c2cccc3 207a_100020629032_100000059708 [1,0,0,0,0,0|2,0,0]=3 52 B18R3.4298 O[C@H]1C[C@@H](C1)NCc2n[nH]c3c2cccc3 270004a_100020629032_100000059708 [1,0,0,0,0,0|2,0,0]=3 53 B18R3.4298 O[C@H]1C[C@@H](C1)NCc2ncc3n2cccc3 207a_100020629032_100000069005 [1,0,0,0,0,0|3,0,0]=4 54 B18R3.4298 O[C@H]1C[C@@H](C1)NCc2ncc3n2cccc3 270004a_100020629032_100000069005 [1,0,0,0,0,0|3,0,0]=4 55 B18R3.4298 O[C@H]1C[C@@H](C1)NCc2ncn3c2cccc3 207a_100020629032_100000084368 [1,0,0,0,0,0|3,0,0]=4 56 B18R3.4298 O[C@H]1C[C@@H](C1)NCc2nnc3n2cccc3 2230a_100020629032_100000037651 [1,0,0,0,0,0|3,0,0]=4 57 B18R3.4298 O[C@H]1C[C@@H](C1)NCn2nnc3c2cccc3 2230a_100020629032_100000033166 [1,0,0,0,0,0|3,0,0]=4 58 B18R3.7585 CC(NC1CCC1)c2coc3c2cccc3 269862a_100000749019_100000751042 [1,0,0,0,0,0|0,0,0]=1 59 B18R3.7585 CC(NC1CCC1)c2csc3c2cccc3 269862a_100000749019_100000689785 [1,0,0,0,0,0|0,1,0]=2 60 B18R3.7585 CC(NC1CCC1)c2n[nH]c3c2cccc3 269862a_100000749019_100000087549 [1,0,0,0,0,0|2,0,0]=3 61 B18R3.7585 CC(NC1COC1)c2coc3c2cccc3 269862a_100016991112_100000751042 [1,0,0,0,0,0|1,0,0]=2 62 B18R3.7585 CC(NC1COC1)c2csc3c2cccc3 269862a_100016991112_100000689785 [1,0,0,0,0,0|1,1,0]=3 63 B18R3.7585 CC(NC1COC1)c2n[nH]c3c2cccc3 269862a_100016991112_100000087549 [1,0,0,0,0,0|3,0,0]=4 64 B18R3.7585 CC(NC1CSC1)c2coc3c2cccc3 269862a_100016994217_100000751042 [1,0,0,0,0,0|1,0,0]=2 65 B18R3.7585 CC(NC1CSC1)c2csc3c2cccc3 269862a_100016994217_100000689785 [1,0,0,0,0,0|1,1,0]=3 66 B18R3.7585 CC(NC1CSC1)c2n[nH]c3c2cccc3 269862a_100016994217_100000087549 [1,0,0,0,0,0|3,0,0]=4 67 B18R3.7585 O=C(NC1CCC1)C2=CCc3c2cccc3 11a_100000749019_100000037392 [1,0,0,0,0,0|2,0,1]=4 68 B18R3.7585 O=C(NC1CCC1)C2=CCc3c2cccc3 1626a_100000749019_100000037392 [1,0,0,0,0,0|2,0,1]=4 69 B18R3.7585 O=C(NC1CCC1)C2=CCc3c2cccc3 240690a_100000749019_100000037392 [1,0,0,0,0,0|2,0,1]=4 70 B20R3.14116 O=S(=O)(N[C@H]1C[C@@H](C1)O)c2csc3c2cccc3 270084a_100020629032_100000728412 [0,1,0,0,0,0|2,1,0]=4 71 B20R3.14116 O=S(=O)(N[C@H]1C[C@@H](C1)O)c2csc3c2cccc3 274078a_100020629032_100000728412 [0,1,0,0,0,0|2,1,0]=4 72 B20R3.24633 CC(NC1CC(C1)CO)c2coc3c2cccc3 269862a_100000095622_100000751042 [0,1,0,0,0,0|0,0,0]=1 73 B20R3.24633 CC(NC1CC(C1)CO)c2csc3c2cccc3 269862a_100000095622_100000689785 [0,1,0,0,0,0|0,1,0]=2 74 B20R3.24633 CC(NC1CC(C1)CO)c2n[nH]c3c2cccc3 269862a_100000095622_100000087549 [0,1,0,0,0,0|2,0,0]=3 75 B20R3.24633 CCN1CC(C1)NC(C)c2coc3c2cccc3 269862a_200015199589_100000751042 [0,1,0,0,0,0|2,0,0]=3 76 B20R3.24633 CCN1CC(C1)NC(C)c2csc3c2cccc3 269862a_200015199589_100000689785 [0,1,0,0,0,0|2,1,0]=4 77 B20R3.24633 CO[C@H]1C[C@@H](C1)NC(=O)C2=CCc3c2cccc3 11a_100121570643_100000037392 [0,1,0,0,0,0|2,0,1]=4 78 B20R3.24633 CO[C@H]1C[C@@H](C1)NC(=O)C2=CCc3c2cccc3 1626a_100121570643_100000037392 [0,1,0,0,0,0|2,0,1]=4 79 B20R3.24633 CO[C@H]1C[C@@H](C1)NC(=O)C2=CCc3c2cccc3 240690a_100121570643_100000037392 [0,1,0,0,0,0|2,0,1]=4 80 B20R3.24633 CO[C@H]1C[C@@H](C1)NC(C)c2coc3c2cccc3 269862a_100121570643_100000751042 [0,1,0,0,0,0|0,0,0]=1 81 B20R3.24633 CO[C@H]1C[C@@H](C1)NC(C)c2csc3c2cccc3 269862a_100121570643_100000689785 [0,1,0,0,0,0|0,1,0]=2 82 B20R3.24633 CO[C@H]1C[C@@H](C1)NC(C)c2n[nH]c3c2cccc3 269862a_100121570643_100000087549 [0,1,0,0,0,0|2,0,0]=3 83 B20R3.24633 O=C(NC1CC(C1)CO)C2=CCc3c2cccc3 240690a_100000095622_100000037392 [0,1,0,0,0,0|2,0,1]=4 84 B20R3.331036 CC(N[C@H]1C[C@@](C1)(C)O)c2coc3c2cccc3 269862a_100121572536_100000751042 [0,1,0,0,0,0|0,0,0]=1 85 B20R3.331036 CC(N[C@H]1C[C@@](C1)(C)O)c2csc3c2cccc3 269862a_100121572536_100000689785 [0,1,0,0,0,0|0,1,0]=2 86 B20R3.331036 CC(N[C@H]1C[C@@](C1)(C)O)c2n[nH]c3c2cccc3 269862a_100121572536_100000087549 [0,1,0,0,0,0|2,0,0]=3 87 B20R3.331036 C[C@@]1(C[C@H](C1)NC(=O)C2=CCc3c2cccc3)O 11a_100121572536_100000037392 [0,1,0,0,0,0|2,0,1]=4 88 B20R3.331036 C[C@@]1(C[C@H](C1)NC(=O)C2=CCc3c2cccc3)O 1626a_100121572536_100000037392 [0,1,0,0,0,0|2,0,1]=4 89 B20R3.331036 C[C@@]1(C[C@H](C1)NC(=O)C2=CCc3c2cccc3)O 240690a_100121572536_100000037392 [0,1,0,0,0,0|2,0,1]=4 90 B20R3.3362403 C=C1CC(C1)NC(C)c2csc3c2cc(cc3)Br 269862a_100132301982_100010167055 [0,1,0,0,0,0|1,1,1]=4 91 B20R3.3362403 CC(NC1CN(C1)C)c2csc3c2cc(cc3)Br 269862a_100015196640_100010167055 [0,1,0,0,0,0|2,1,0]=4 92 B20R3.3362403 CC(N[C@H]1C[C@@H](C1)O)c2cnc3n2cc(cc3)Br 269862a_100020629032_100010260146 [0,1,0,0,0,0|2,0,0]=3 93 B20R3.3362403 CC(N[C@H]1C[C@@H](C1)O)c2cnc3n2nc(cc3)Cl 269862a_100020629032_100000101269 [0,1,0,0,0,0|3,0,0]=4 94 B20R3.3362403 CC(N[C@H]1C[C@@H](C1)O)c2csc3c2cc(cc3)Br 269862a_100020629032_100010167055 [0,1,0,0,0,0|0,1,0]=2 95 B20R3.3362403 CC(N[C@H]1C[C@@H](C1)O)c2n[nH]c3c2cc(cc3)Br 269862a_100020629032_100010178523 [0,1,0,0,0,0|2,0,0]=3 96 B18R2.7182 CC(=NNCC(C)O)c1coc2c1cccc2 4a_200000730056_100000751042 [0,0,1,0,0,0|1,0,2]=4 97 B18R2.7182 CC(C)CCNC(C)c1coc2c1cccc2 269862a_100000210545_100000751042 [0,0,1,0,0,0|1,0,0]=2 98 B18R2.7182 CC(C)CCNC(C)c1csc2c1cccc2 269862a_100000210545_100000689785 [0,0,1,0,0,0|1,1,0]=3 99 B18R2.7182 CC(C)CCNC(C)c1n[nH]c2c1cccc2 269862a_100000210545_100000087549 [0,0,1,0,0,0|3,0,0]=4 100 B18R2.7182 CC(NCCC(=O)N)c1coc2c1cccc2 269862a_100000740010_100000751042 [0,0,1,0,0,0|1,0,2]=4 101 B18R2.7182 CC(NCCN(C)C)c1coc2c1cccc2 269862a_100000210585_100000751042 [0,0,1,0,0,0|2,0,0]=3 102 B18R2.7182 CC(NCCN(C)C)c1csc2c1cccc2 269862a_100000210585_100000689785 [0,0,1,0,0,0|2,1,0]=4 103 B18R2.7182 CC(O)CCNC(=O)C1=CCc2c1cccc2 240690a_200000755665_100000037392 [0,0,1,0,0,0|2,0,1]=4 104 B18R2.7182 CC(O)CCNC(C)c1coc2c1cccc2 269862a_200000755665_100000751042 [0,0,1,0,0,0|0,0,0]=1 105 B18R2.7182 CC(O)CCNC(C)c1csc2c1cccc2 269862a_200000755665_100000689785 [0,0,1,0,0,0|0,1,0]=2 106 B18R2.7182 CC(O)CCNC(C)c1n[nH]c2c1cccc2 269862a_200000755665_100000087549 [0,0,1,0,0,0|2,0,0]=3 107 B18R2.8251 CC(N[C@H](C)CCO)c1coc2c1cccc2 269862a_100000706166_100000751042 [0,0,1,0,0,0|0,0,0]=1 108 B18R2.8251 CC(N[C@H](C)CCO)c1csc2c1cccc2 269862a_100000706166_100000689785 [0,0,1,0,0,0|0,1,0]=2 109 B18R2.8251 CC(N[C@H](C)CCO)c1n[nH]c2c1cccc2 269862a_100000706166_100000087549 [0,0,1,0,0,0|2,0,0]=3 110 B18R2.8251 CCCC(C)NC(C)c1coc2c1cccc2 269862a_100000741246_100000751042 [0,0,1,0,0,0|1,0,0]=2 111 B18R2.8251 CCCC(C)NC(C)c1csc2c1cccc2 269862a_100000741246_100000689785 [0,0,1,0,0,0|1,1,0]=3 112 B18R2.8251 CCCC(C)NC(C)c1n[nH]c2c1cccc2 269862a_100000741246_100000087549 [0,0,1,0,0,0|3,0,0]=4 113 B18R2.8251 COC[C@@H](C)NC(C)c1coc2c1cccc2 269862a_100000764878_100000751042 [0,0,1,0,0,0|2,0,0]=3 114 B18R2.8251 COC[C@@H](C)NC(C)c1csc2c1cccc2 269862a_100000764878_100000689785 [0,0,1,0,0,0|2,1,0]=4 115 B18R2.8251 C[C@H](CCO)NC(=O)C1=CCc2c1cccc2 240690a_100000706166_100000037392 [0,0,1,0,0,0|2,0,1]=4 116 B18R2.19427 COc1ccccc1CC(C)NC2CC(C2)F 270004a_100016993743_100000211486 [0,0,1,0,0,0|1,0,2]=4 117 B18R2.19427 COc1ccccc1CC(C)N[C@H]2C[C@@H](C2)O 270004a_100020629032_100000211486 [0,0,1,0,0,0|0,0,2]=3 118 B18R2.32696 CC(NC1CC(C1)F)C(=O)c2ccccc2Cl 2230a_100016993743_100010255250 [0,0,1,0,0,0|3,0,0]=4 119 B18R2.32696 CC(N[C@H]1C[C@@H](C1)O)C(=O)c2ccccc2Cl 2230a_100020629032_100010255250 [0,0,1,0,0,0|2,0,0]=3 120 B18R2.41521 CC(CCCc1ccccc1)N[C@H]2C[C@@H](C2)O 2230a_100020629032_200010759516 [0,0,1,0,0,0|1,0,2]=4 121 B18R2.41521 CC(COCc1ccccc1)N[C@H]2C[C@@H](C2)O 270004a_100020629032_100011215004 [0,0,1,0,0,0|2,0,1]=4 122 B18R2.41521 CC(CSCc1ccccc1)N[C@H]2C[C@@H](C2)O 270004a_100020629032_100000172147 [0,0,1,0,0,0|2,0,1]=4 123 B18R2.41521 O=C(C=CSc1ccccc1)N[C@H]2C[C@@H](C2)O 11a_100020629032_100016262050 [0,0,1,0,0,0|1,1,1]=4 124 B18R2.41521 O=C(C=CSc1ccccc1)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100016262050 [0,0,1,0,0,0|1,1,1]=4 125 B18R2.41521 O=C(C=CSc1ccccc1)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100016262050 [0,0,1,0,0,0|1,1,1]=4 126 B20R4.4813498 CC(NC12CC(C1)C2)c3coc4c3cccc4 269862a_100016993715_100000751042 [0,0,0,1,0,0|1,0,0]=2 127 B20R4.4813498 CC(NC12CC(C1)C2)c3csc4c3cccc4 269862a_100016993715_100000689785 [0,0,0,1,0,0|1,1,0]=3 128 B20R4.4813498 CC(NC12CC(C1)C2)c3n[nH]c4c3cccc4 269862a_100016993715_100000087549 [0,0,0,1,0,0|3,0,0]=4 129 B20R3.5165 CC(NC1CCN(C1)C)c2coc3c2cccc3 269862a_100000744687_100000751042 [0,0,0,0,0,1|2,0,0]=3 130 B20R3.5165 CC(NC1CCN(C1)C)c2csc3c2cccc3 269862a_100000744687_100000689785 [0,0,0,0,0,1|2,1,0]=4 131 B20R3.5165 CC(NC1CNC(=O)C1)c2coc3c2cccc3 269862a_100000697751_100000751042 [0,0,0,0,0,1|0,0,2]=3 132 B20R3.5165 CC(NC1CNC(=O)C1)c2csc3c2cccc3 269862a_100000697751_100000689785 [0,0,0,0,0,1|0,1,2]=4 133 B20R3.5165 CC(N[C@H]1CC[C@H](C1)O)c2coc3c2cccc3 269862a_100015195300_100000751042 [0,0,0,0,0,1|0,0,0]=1 134 B20R3.5165 CC(N[C@H]1CC[C@H](C1)O)c2csc3c2cccc3 269862a_100015195300_100000689785 [0,0,0,0,0,1|0,1,0]=2 135 B20R3.5165 CC(N[C@H]1CC[C@H](C1)O)c2n[nH]c3c2cccc3 269862a_100015195300_100000087549 [0,0,0,0,0,1|2,0,0]=3 136 B20R3.5165 O=C(N[C@H]1CC[C@H](C1)O)C2=CCc3c2cccc3 1626a_100015195300_100000037392 [0,0,0,0,0,1|2,0,1]=4 137 B20R3.5165 O=C(N[C@H]1CC[C@H](C1)O)C2=CCc3c2cccc3 240690a_100015195300_100000037392 [0,0,0,0,0,1|2,0,1]=4 138 B20R3.8538 C=C1CC(C1)CNC(C)c2coc3c2cccc3 269862a_100102567296_100000751042 [0,0,0,0,0,1|1,0,1]=3 139 B20R3.8538 C=C1CC(C1)CNC(C)c2csc3c2cccc3 269862a_100102567296_100000689785 [0,0,0,0,0,1|1,1,1]=4 140 B20R3.8538 CC(NCC1CC(C1)O)c2coc3c2cccc3 269862a_100016992100_100000751042 [0,0,0,0,0,1|0,0,0]=1 141 B20R3.8538 CC(NCC1CC(C1)O)c2csc3c2cccc3 269862a_100016992100_100000689785 [0,0,0,0,0,1|0,1,0]=2 142 B20R3.8538 CC(NCC1CC(C1)O)c2n[nH]c3c2cccc3 269862a_100016992100_100000087549 [0,0,0,0,0,1|2,0,0]=3 143 B20R3.8538 CC(NCC1CN(C1)C)c2coc3c2cccc3 269862a_100000723568_100000751042 [0,0,0,0,0,1|2,0,0]=3 144 B20R3.8538 CC(NCC1CN(C1)C)c2csc3c2cccc3 269862a_100000723568_100000689785 [0,0,0,0,0,1|2,1,0]=4 145 B20R3.8538 O=C(CN[C@H]1C[C@@H](C1)O)c2c[nH]c3c2cccc3 2230a_100020629032_100000183220 [0,0,0,0,0,1|2,0,1]=4 146 B20R3.8538 O=C(CN[C@H]1C[C@@H](C1)O)c2csc3c2cccc3 2230a_100020629032_100000689783 [0,0,0,0,0,1|1,1,1]=4 147 B20R3.8538 O=C(NCC1CC(C1)O)C2=CCc3c2cccc3 11a_100016992100_100000037392 [0,0,0,0,0,1|2,0,1]=4 148 B20R3.8538 O=C(NCC1CC(C1)O)C2=CCc3c2cccc3 240690a_100016992100_100000037392 [0,0,0,0,0,1|2,0,1]=4 149 B20R3.14130 C=C1CC(C1)NC(C)Cc2c[nH]c3c2cccc3 270004a_100132301982_100000030300 [0,0,0,0,0,1|2,0,1]=4 150 B20R3.14130 CC(Cc1c[nH]c2c1cccc2)NC3CC(C3)F 270004a_100016993743_100000030300 [0,0,0,0,0,1|2,0,0]=3 151 B20R3.14130 CC(Cc1c[nH]c2c1cccc2)NC3CN(C3)C 270004a_100015196640_100000030300 [0,0,0,0,0,1|3,0,0]=4 152 B20R3.14130 CC(Cc1c[nH]c2c1cccc2)N[C@H]3C[C@@H](C3)O 270004a_100020629032_100000030300 [0,0,0,0,0,1|1,0,0]=2 153 B20R3.14130 CC(Cn1nnc2c1cccc2)N[C@H]3C[C@@H](C3)O 270004a_100020629032_200011245006 [0,0,0,0,0,1|3,0,0]=4 154 B20R3.14130 O=C(Cc1c[nH]c2c1cccc2)N[C@H]3C[C@@H](C3)O 11a_100020629032_100000183835 [0,0,0,0,0,1|2,0,1]=4 155 B20R3.14130 O=C(Cc1c[nH]c2c1cccc2)N[C@H]3C[C@@H](C3)O 240690a_100020629032_100000183835 [0,0,0,0,0,1|2,0,1]=4 156 B20R3.14130 O=C(Cc1c[nH]c2c1cccc2)N[C@H]3C[C@@H](C3)O 527a_100020629032_100000183835 [0,0,0,0,0,1|2,0,1]=4 157 B20R3.14130 O=C(Cc1coc2c1cccc2)NC3CC(C3)F 11a_100016993743_100000217546 [0,0,0,0,0,1|2,0,1]=4 158 B20R3.14130 O=C(Cc1coc2c1cccc2)NC3CC(C3)F 1626a_100016993743_100000217546 [0,0,0,0,0,1|2,0,1]=4 159 B20R3.14130 O=C(Cc1coc2c1cccc2)NC3CC(C3)F 240690a_100016993743_100000217546 [0,0,0,0,0,1|2,0,1]=4 160 B20R3.14130 O=C(Cc1coc2c1cccc2)NC3CC(C3)F 527a_100016993743_100000217546 [0,0,0,0,0,1|2,0,1]=4 161 B20R3.14130 O=C(Cc1coc2c1cccc2)N[C@H]3C[C@@H](C3)O 11a_100020629032_100000217546 [0,0,0,0,0,1|1,0,1]=3 162 B20R3.14130 O=C(Cc1coc2c1cccc2)N[C@H]3C[C@@H](C3)O 1626a_100020629032_100000217546 [0,0,0,0,0,1|1,0,1]=3 163 B20R3.14130 O=C(Cc1coc2c1cccc2)N[C@H]3C[C@@H](C3)O 240690a_100020629032_100000217546 [0,0,0,0,0,1|1,0,1]=3 164 B20R3.14130 O=C(Cc1coc2c1cccc2)N[C@H]3C[C@@H](C3)O 527a_100020629032_100000217546 [0,0,0,0,0,1|1,0,1]=3 165 B20R3.14130 O=C(Cc1csc2c1cccc2)N[C@H]3C[C@@H](C3)O 11a_100020629032_100000741031 [0,0,0,0,0,1|1,1,1]=4 166 B20R3.14130 O=C(Cc1csc2c1cccc2)N[C@H]3C[C@@H](C3)O 1626a_100020629032_100000741031 [0,0,0,0,0,1|1,1,1]=4 167 B20R3.14130 O=C(Cc1csc2c1cccc2)N[C@H]3C[C@@H](C3)O 240690a_100020629032_100000741031 [0,0,0,0,0,1|1,1,1]=4 168 B20R3.14130 O=C(Cc1csc2c1cccc2)N[C@H]3C[C@@H](C3)O 527a_100020629032_100000741031 [0,0,0,0,0,1|1,1,1]=4 169 B20R3.14130 O=C(Cc1noc2c1cccc2)N[C@H]3C[C@@H](C3)O 11a_100020629032_100000205995 [0,0,0,0,0,1|2,0,1]=4 170 B20R3.14130 O=C(Cc1noc2c1cccc2)N[C@H]3C[C@@H](C3)O 1626a_100020629032_100000205995 [0,0,0,0,0,1|2,0,1]=4 171 B20R3.14130 O=C(Cc1noc2c1cccc2)N[C@H]3C[C@@H](C3)O 240690a_100020629032_100000205995 [0,0,0,0,0,1|2,0,1]=4 172 B20R3.150391 C=C1CC(C1)NC(C)c2ccc3ccccc3c2 269862a_100132301982_100000210793 [0,0,0,0,0,1|2,0,1]=4 173 B20R3.150391 C=C1CC(C1)NC(C)c2ccc3ccccc3n2 269862a_100132301982_100000684817 [0,0,0,0,0,1|2,0,1]=4 174 B20R3.150391 C=C1CC(C1)NC(C)c2cnc3ccccc3c2 269862a_100132301982_100011376191 [0,0,0,0,0,1|2,0,1]=4 175 B20R3.150391 C=C1CC(C1)NC(C)c2cnc3ccccc3n2 269862a_100132301982_100011830413 [0,0,0,0,0,1|2,0,1]=4 176 B20R3.150391 CC(NC1CC(C1)F)C2COc3ccccc3O2 270004a_100016993743_100011934066 [0,0,0,0,0,1|1,0,2]=4 177 B20R3.150391 CC(NC1CN(C1)C)c2ccc3ccccc3c2 269862a_100015196640_100000210793 [0,0,0,0,0,1|3,0,0]=4 178 B20R3.150391 CC(NC1CN(C1)C)c2ccc3ccccc3n2 269862a_100015196640_100000684817 [0,0,0,0,0,1|3,0,0]=4 179 B20R3.150391 CC(NC1CN(C1)C)c2cnc3ccccc3c2 269862a_100015196640_100011376191 [0,0,0,0,0,1|3,0,0]=4 180 B20R3.150391 CC(NC1CN(C1)C)c2cnc3ccccc3n2 269862a_100015196640_100011830413 [0,0,0,0,0,1|3,0,0]=4 181 B20R3.150391 CC(N[C@H]1C[C@@H](C1)O)C2COc3ccccc3O2 270004a_100020629032_100011934066 [0,0,0,0,0,1|0,0,2]=3 182 B20R3.150391 CC(N[C@H]1C[C@@H](C1)O)c2cc3ccccc3cn2 269862a_100020629032_200000084103 [0,0,0,0,0,1|2,0,0]=3 183 B20R3.150391 CC(N[C@H]1C[C@@H](C1)O)c2ccc3ccccc3c2 269862a_100020629032_100000210793 [0,0,0,0,0,1|1,0,0]=2 184 B20R3.150391 CC(N[C@H]1C[C@@H](C1)O)c2ccc3ccccc3n2 269862a_100020629032_100000684817 [0,0,0,0,0,1|1,0,0]=2 185 B20R3.150391 CC(N[C@H]1C[C@@H](C1)O)c2ccc3ncccc3c2 269862a_100020629032_100011286481 [0,0,0,0,0,1|2,0,0]=3 186 B20R3.150391 CC(N[C@H]1C[C@@H](C1)O)c2ccc3nccnc3c2 269862a_100020629032_100012000623 [0,0,0,0,0,1|3,0,0]=4 187 B20R3.150391 CC(N[C@H]1C[C@@H](C1)O)c2cnc3ccccc3c2 269862a_100020629032_100011376191 [0,0,0,0,0,1|1,0,0]=2 188 B20R3.150391 CC(N[C@H]1C[C@@H](C1)O)c2cnc3ccccc3n2 269862a_100020629032_100011830413 [0,0,0,0,0,1|1,0,0]=2 189 B20R3.150391 O=C(N[C@H]1C[C@@H](C1)O)C2=Cc3ccccc3OC2 11a_100020629032_100000018039 [0,0,0,0,0,1|1,0,2]=4 190 B20R3.150391 O=C(N[C@H]1C[C@@H](C1)O)C2=Cc3ccccc3OC2 1626a_100020629032_100000018039 [0,0,0,0,0,1|1,0,2]=4 191 B20R3.150391 O=C(N[C@H]1C[C@@H](C1)O)C2=Cc3ccccc3OC2 240690a_100020629032_100000018039 [0,0,0,0,0,1|1,0,2]=4 192 B20R3.150391 O=C(N[C@H]1C[C@@H](C1)O)C2=Cc3ccccc3OC2 527a_100020629032_100000018039 [0,0,0,0,0,1|1,0,2]=4 193 B20R3.150391 O=C(N[C@H]1C[C@@H](C1)O)c2ccc3ccccc3c2 11a_100020629032_100000210637 [0,0,0,0,0,1|2,0,1]=4 194 B20R3.150391 O=C(N[C@H]1C[C@@H](C1)O)c2ccc3ccccc3c2 1626a_100020629032_100000210637 [0,0,0,0,0,1|2,0,1]=4 195 B20R3.150391 O=C(N[C@H]1C[C@@H](C1)O)c2ccc3ccccc3c2 240690a_100020629032_100000210637 [0,0,0,0,0,1|2,0,1]=4 196 B20R3.150391 O=C(N[C@H]1C[C@@H](C1)O)c2ccc3ccccc3c2 527a_100020629032_100000210637 [0,0,0,0,0,1|2,0,1]=4 197 B20R3.295904 C=C1CC(C1)NC(C)c2cccc3c2cccc3 269862a_100132301982_100000210126 [0,0,0,0,0,1|2,0,1]=4 198 B20R3.295904 C=C1CC(C1)NC(C)c2cncc3c2cccc3 269862a_100132301982_100011951259 [0,0,0,0,0,1|2,0,1]=4 199 B20R3.295904 C=C1CC(C1)NC(C)c2nccc3c2cccc3 269862a_100132301982_100000742330 [0,0,0,0,0,1|2,0,1]=4 200 B20R3.295904 CC(NC1CN(C1)C)c2cccc3c2cccc3 269862a_100015196640_100000210126 [0,0,0,0,0,1|3,0,0]=4 201 B20R3.295904 CC(NC1CN(C1)C)c2cncc3c2cccc3 269862a_100015196640_100011951259 [0,0,0,0,0,1|3,0,0]=4 202 B20R3.295904 CC(NC1CN(C1)C)c2nccc3c2cccc3 269862a_100015196640_100000742330 [0,0,0,0,0,1|3,0,0]=4 203 B20R3.295904 CC(N[C@H]1C[C@@H](C1)O)c2cccc3c2cccc3 269862a_100020629032_100000210126 [0,0,0,0,0,1|1,0,0]=2 204 B20R3.295904 CC(N[C@H]1C[C@@H](C1)O)c2cccc3c2nccc3 269862a_100020629032_100011995788 [0,0,0,0,0,1|2,0,0]=3 205 B20R3.295904 CC(N[C@H]1C[C@@H](C1)O)c2cncc3c2cccc3 269862a_100020629032_100011951259 [0,0,0,0,0,1|1,0,0]=2 206 B20R3.295904 CC(N[C@H]1C[C@@H](C1)O)c2nccc3c2cccc3 269862a_100020629032_100000742330 [0,0,0,0,0,1|1,0,0]=2 207 B20R3.295904 O=C(N[C@H]1C[C@@H](C1)O)c2cccc3c2cccc3 11a_100020629032_100000210949 [0,0,0,0,0,1|2,0,1]=4 208 B20R3.295904 O=C(N[C@H]1C[C@@H](C1)O)c2cccc3c2cccc3 1626a_100020629032_100000210949 [0,0,0,0,0,1|2,0,1]=4 209 B20R3.295904 O=C(N[C@H]1C[C@@H](C1)O)c2cccc3c2cccc3 240690a_100020629032_100000210949 [0,0,0,0,0,1|2,0,1]=4 210 B20R3.295904 O=C(N[C@H]1C[C@@H](C1)O)c2cccc3c2cccc3 527a_100020629032_100000210949 [0,0,0,0,0,1|2,0,1]=4 211 B17R2.137 CC(C)CCNCc1coc2c1cccc2 207a_100000210545_100000688544 [1,0,1,0,0,0|1,0,0]=3 212 B17R2.137 CC(C)CCNCc1coc2c1cccc2 270004a_100000210545_100000688544 [1,0,1,0,0,0|1,0,0]=3 213 B17R2.137 CC(C)CCNCc1csc2c1cccc2 207a_100000210545_100000239721 [1,0,1,0,0,0|1,1,0]=4 214 B17R2.137 CC(C)CCNCc1csc2c1cccc2 269862a_100000744611_100000185833 [1,0,1,0,0,0|1,1,0]=4 215 B17R2.137 CC(C)CCNCc1csc2c1cccc2 270004a_100000210545_100000239721 [1,0,1,0,0,0|1,1,0]=4 216 B17R2.137 CC(C)CCNCc1csc2c1cccc2 34a_100000744611_100000210312 [1,0,1,0,0,0|1,1,0]=4 217 B17R2.137 CC(O)CCCSc1coc2c1cccc2 62a_200000718107_100009812202 [1,0,1,0,0,0|2,0,0]=4 218 B17R2.137 CC(O)CCNCc1c[nH]c2c1ccnc2 270004a_200000755665_100000087688 [1,0,1,0,0,0|2,0,0]=4 219 B17R2.137 CC(O)CCNCc1cnc2n1cccc2 207a_200000755665_100000052358 [1,0,1,0,0,0|2,0,0]=4 220 B17R2.137 CC(O)CCNCc1cnc2n1cccc2 2230a_100015187830_100012276601 [1,0,1,0,0,0|2,0,0]=4 221 B17R2.137 CC(O)CCNCc1cnc2n1cccc2 270004a_200000755665_100000052358 [1,0,1,0,0,0|2,0,0]=4 222 B17R2.137 CC(O)CCNCc1cnn2c1cccc2 207a_200000755665_100011787723 [1,0,1,0,0,0|2,0,0]=4 223 B17R2.137 CC(O)CCNCc1cnn2c1cccc2 270004a_200000755665_100011787723 [1,0,1,0,0,0|2,0,0]=4 224 B17R2.137 CC(O)CCNCc1coc2c1cccc2 207a_200000755665_100000688544 [1,0,1,0,0,0|0,0,0]=2 225 B17R2.137 CC(O)CCNCc1coc2c1cccc2 270004a_200000755665_100000688544 [1,0,1,0,0,0|0,0,0]=2 226 B17R2.137 CC(O)CCNCc1csc2c1cccc2 207a_200000755665_100000239721 [1,0,1,0,0,0|0,1,0]=3 227 B17R2.137 CC(O)CCNCc1csc2c1cccc2 2230a_200000755665_200000742921 [1,0,1,0,0,0|0,1,0]=3 228 B17R2.137 CC(O)CCNCc1csc2c1cccc2 270004a_200000755665_100000239721 [1,0,1,0,0,0|0,1,0]=3 229 B17R2.137 CC(O)CCNCc1csc2c1cccc2 34a_100000744611_100012276601 [1,0,1,0,0,0|0,1,0]=3 230 B17R2.137 CC(O)CCNCc1n[nH]c2c1cccc2 207a_200000755665_100000059708 [1,0,1,0,0,0|2,0,0]=4 231 B17R2.137 CC(O)CCNCc1n[nH]c2c1cccc2 270004a_200000755665_100000059708 [1,0,1,0,0,0|2,0,0]=4 232 B17R2.137 CC(O)CCOCc1csc2c1cccc2 34a_100011219454_100012276601 [1,0,1,0,0,0|1,1,0]=4 233 B17R2.137 CC(O)CCSCc1csc2c1cccc2 62a_100012276601_200000742921 [1,0,1,0,0,0|1,1,0]=4 234 B17R2.137 CC(O)CCSCc1csc2c1cccc2 62a_200000742921_100012276601 [1,0,1,0,0,0|1,1,0]=4 235 B17R2.137 CC(O)CCSCc1noc2c1cccc2 62a_100009813815_100012276601 [1,0,1,0,0,0|2,0,0]=4 236 B17R2.137 CC(O)CCSCc1noc2c1cccc2 62a_100012276601_100009813815 [1,0,1,0,0,0|2,0,0]=4 237 B17R2.137 CC(O)CNCCc1coc2c1cccc2 2230a_100011934666_100011218427 [1,0,1,0,0,0|2,0,0]=4 238 B17R2.137 CC(O)CNCCc1coc2c1cccc2 34a_100011934666_100011218427 [1,0,1,0,0,0|2,0,0]=4 239 B17R2.137 CN(C)CCNCc1coc2c1cccc2 207a_100000210585_100000688544 [1,0,1,0,0,0|2,0,0]=4 240 B17R2.137 CN(C)CCNCc1coc2c1cccc2 270004a_100000210585_100000688544 [1,0,1,0,0,0|2,0,0]=4 241 B17R2.137 C[C@@H](O)CNCCc1coc2c1cccc2 2230a_100011934666_100009817552 [1,0,1,0,0,0|2,0,0]=4 242 B17R2.137 C[C@@H](O)CNCCc1coc2c1cccc2 34a_100011934666_100009817552 [1,0,1,0,0,0|2,0,0]=4 243 B17R2.2343 C=CCCNC(C)c1coc2c1cccc2 269862a_100015191253_100000751042 [1,0,1,0,0,0|0,0,2]=4 244 B17R2.2343 CC(NCCCF)c1coc2c1cccc2 269862a_100015189416_100000751042 [1,0,1,0,0,0|1,0,0]=3 245 B17R2.2343 CC(NCCCF)c1csc2c1cccc2 269862a_100015189416_100000689785 [1,0,1,0,0,0|1,1,0]=4 246 B17R2.2343 CC(NCCCO)c1coc2c1cccc2 269862a_100000182051_100000751042 [1,0,1,0,0,0|0,0,0]=2 247 B17R2.2343 CC(NCCCO)c1csc2c1cccc2 269862a_100000182051_100000689785 [1,0,1,0,0,0|0,1,0]=3 248 B17R2.2343 CC(NCCCO)c1n[nH]c2c1cccc2 269862a_100000182051_100000087549 [1,0,1,0,0,0|2,0,0]=4 249 B17R2.2343 CCCCNC(C)c1coc2c1cccc2 269862a_100000102301_100000751042 [1,0,1,0,0,0|0,0,0]=2 250 B17R2.2343 CCCCNC(C)c1csc2c1cccc2 269862a_100000102301_100000689785 [1,0,1,0,0,0|0,1,0]=3 251 B17R2.2343 CCCCNC(C)c1n[nH]c2c1cccc2 269862a_100000102301_100000087549 [1,0,1,0,0,0|2,0,0]=4 252 B17R2.2343 COCCNC(C)c1coc2c1cccc2 269862a_100000209980_100000751042 [1,0,1,0,0,0|1,0,0]=3 253 B17R2.2343 COCCNC(C)c1csc2c1cccc2 269862a_100000209980_100000689785 [1,0,1,0,0,0|1,1,0]=4 254 B17R2.2343 CSCCNC(C)c1coc2c1cccc2 269862a_100020590264_100000751042 [1,0,1,0,0,0|1,0,0]=3 255 B17R2.2343 CSCCNC(C)c1csc2c1cccc2 269862a_100020590264_100000689785 [1,0,1,0,0,0|1,1,0]=4 256 B17R2.6 CC(CCO)NCc1cnc2n1cccc2 2230a_100015187830_100009893172 [1,0,1,0,0,0|2,0,0]=4 257 B17R2.6 CC(CCO)NCc1csc2c1cccc2 34a_100000744611_100009893172 [1,0,1,0,0,0|0,1,0]=3 258 B17R2.6 CC(CCO)OCc1csc2c1cccc2 34a_100011219454_100009893172 [1,0,1,0,0,0|1,1,0]=4 259 B17R2.6 CC(CCO)SCc1csc2c1cccc2 62a_100009893172_200000742921 [1,0,1,0,0,0|1,1,0]=4 260 B17R2.6 CC(CCO)SCc1csc2c1cccc2 62a_200000742921_100009893172 [1,0,1,0,0,0|1,1,0]=4 261 B17R2.6 CC(CCO)SCc1noc2c1cccc2 62a_100009813815_100009893172 [1,0,1,0,0,0|2,0,0]=4 262 B17R2.6 CC(CCO)SCc1noc2c1cccc2 62a_100009893172_100009813815 [1,0,1,0,0,0|2,0,0]=4 263 B17R2.6 CCCC(C)NCc1c[nH]c2c1cccc2 270004a_100015202335_100000211909 [1,0,1,0,0,0|2,0,0]=4 264 B17R2.6 CCCC(C)NCc1coc2c1cccc2 207a_100000741246_100000688544 [1,0,1,0,0,0|1,0,0]=3 265 B17R2.6 CCCC(C)NCc1coc2c1cccc2 270004a_100000741246_100000688544 [1,0,1,0,0,0|1,0,0]=3 266 B17R2.6 CCCC(C)NCc1csc2c1cccc2 207a_100000741246_100000239721 [1,0,1,0,0,0|1,1,0]=4 267 B17R2.6 CCCC(C)NCc1csc2c1cccc2 2230a_100000741246_200000742921 [1,0,1,0,0,0|1,1,0]=4 268 B17R2.6 CCCC(C)NCc1csc2c1cccc2 270004a_100000741246_100000239721 [1,0,1,0,0,0|1,1,0]=4 269 B17R2.6 CCCC(C)NCc1csc2c1cccc2 270004a_100000744611_100000211909 [1,0,1,0,0,0|1,1,0]=4 270 B17R2.6 CCCC(C)NCc1csc2c1cccc2 34a_100000744611_100000766640 [1,0,1,0,0,0|1,1,0]=4 271 B17R2.6 COC[C@@H](C)NCc1coc2c1cccc2 207a_100000764878_100000688544 [1,0,1,0,0,0|2,0,0]=4 272 B17R2.6 COC[C@@H](C)NCc1coc2c1cccc2 270004a_100000764878_100000688544 [1,0,1,0,0,0|2,0,0]=4 273 B17R2.6 C[C@@H](CC#N)NCc1coc2c1cccc2 207a_100016994482_100000688544 [1,0,1,0,0,0|1,0,1]=4 274 B17R2.6 C[C@H](CCO)NCc1c[nH]c2c1ccnc2 270004a_100000706166_100000087688 [1,0,1,0,0,0|2,0,0]=4 275 B17R2.6 C[C@H](CCO)NCc1cnc2n1cccc2 207a_100000706166_100000052358 [1,0,1,0,0,0|2,0,0]=4 276 B17R2.6 C[C@H](CCO)NCc1cnc2n1cccc2 270004a_100000706166_100000052358 [1,0,1,0,0,0|2,0,0]=4 277 B17R2.6 C[C@H](CCO)NCc1cnn2c1cccc2 207a_100000706166_100011787723 [1,0,1,0,0,0|2,0,0]=4 278 B17R2.6 C[C@H](CCO)NCc1cnn2c1cccc2 270004a_100000706166_100011787723 [1,0,1,0,0,0|2,0,0]=4 279 B17R2.6 C[C@H](CCO)NCc1coc2c1cccc2 207a_100000706166_100000688544 [1,0,1,0,0,0|0,0,0]=2 280 B17R2.6 C[C@H](CCO)NCc1coc2c1cccc2 270004a_100000706166_100000688544 [1,0,1,0,0,0|0,0,0]=2 281 B17R2.6 C[C@H](CCO)NCc1csc2c1cccc2 207a_100000706166_100000239721 [1,0,1,0,0,0|0,1,0]=3 282 B17R2.6 C[C@H](CCO)NCc1csc2c1cccc2 2230a_100000706166_200000742921 [1,0,1,0,0,0|0,1,0]=3 283 B17R2.6 C[C@H](CCO)NCc1csc2c1cccc2 270004a_100000706166_100000239721 [1,0,1,0,0,0|0,1,0]=3 284 B17R2.6 C[C@H](CCO)NCc1csc2c1cccc2 34a_100000706166_200000742921 [1,0,1,0,0,0|0,1,0]=3 285 B17R2.6 C[C@H](CCO)NCc1n[nH]c2c1cccc2 207a_100000706166_100000059708 [1,0,1,0,0,0|2,0,0]=4 286 B17R2.6 C[C@H](CCO)NCc1n[nH]c2c1cccc2 270004a_100000706166_100000059708 [1,0,1,0,0,0|2,0,0]=4 287 B17R2.6 C[C@H](CCO)NCc1noc2c1cccc2 34a_100000706166_100009813815 [1,0,1,0,0,0|1,0,0]=3 288 B17R2.693 CC(N[C@H](C)CF)c1coc2c1cccc2 269862a_100102880703_100000751042 [1,0,1,0,0,0|1,0,0]=3 289 B17R2.693 CC(N[C@H](C)CF)c1csc2c1cccc2 269862a_100102880703_100000689785 [1,0,1,0,0,0|1,1,0]=4 290 B17R2.693 CC(N[C@H](C)CO)c1coc2c1cccc2 269862a_100000737577_100000751042 [1,0,1,0,0,0|0,0,0]=2 291 B17R2.693 CC(N[C@H](C)CO)c1csc2c1cccc2 269862a_100000737577_100000689785 [1,0,1,0,0,0|0,1,0]=3 292 B17R2.693 CC(N[C@H](C)CO)c1n[nH]c2c1cccc2 269862a_100000737577_100000087549 [1,0,1,0,0,0|2,0,0]=4 293 B17R2.693 CCC(C)NC(C)c1coc2c1cccc2 269862a_100000209981_100000751042 [1,0,1,0,0,0|0,0,0]=2 294 B17R2.693 CCC(C)NC(C)c1csc2c1cccc2 269862a_100000209981_100000689785 [1,0,1,0,0,0|0,1,0]=3 295 B17R2.693 CCC(C)NC(C)c1n[nH]c2c1cccc2 269862a_100000209981_100000087549 [1,0,1,0,0,0|2,0,0]=4 296 B17R2.5221 C=C(C(=O)N[C@H]1C[C@@H](C1)O)c2ccccc2 1626a_100020629032_100000065200 [1,0,1,0,0,0|1,0,1]=4 297 B17R2.5221 CC(NC1CC(C1)F)C(=O)c2ccccc2 2230a_100016993743_100000239700 [1,0,1,0,0,0|1,0,1]=4 298 B17R2.5221 CC(N[C@H]1C[C@@H](C1)O)C(=O)c2ccccc2 2230a_100020629032_100000239700 [1,0,1,0,0,0|0,0,1]=3 299 B17R2.12465 COc1ccccc1CCN[C@H]2C[C@@H](C2)O 2230a_100020629032_100011713687 [1,0,1,0,0,0|0,0,2]=4 300 B17R2.12465 COc1ccccc1CCN[C@H]2C[C@@H](C2)O 270004a_100020629032_100011713418 [1,0,1,0,0,0|0,0,2]=4 301 B17R2.20609 CC(Cc1ccccc1Br)N[C@H]2C[C@@H](C2)O 270004a_100020629032_100011350739 [1,0,1,0,0,0|1,0,1]=4 302 B17R2.20609 CC(Cc1ccccc1Cl)N[C@H]2C[C@@H](C2)O 270004a_100020629032_100000758791 [1,0,1,0,0,0|1,0,1]=4 303 B17R2.20609 CC(Cc1ccccc1F)N[C@H]2C[C@@H](C2)O 270004a_100020629032_100000709178 [1,0,1,0,0,0|1,0,1]=4 304 B17R2.20609 Cc1ccccc1CC(C)N[C@H]2C[C@@H](C2)O 270004a_100020629032_200000764500 [1,0,1,0,0,0|0,0,2]=4 305 B17R2.24378 Cc1ccccc1C(=O)CN[C@H]2C[C@@H](C2)O 2230a_100020629032_100000741374 [1,0,1,0,0,0|2,0,0]=4 306 B17R2.156451 CC(NC1CCC1)C(=O)c2ccccc2Cl 2230a_100000749019_100010255250 [1,0,1,0,0,0|2,0,0]=4 307 B17R2.5217 O[C@H]1C[C@@H](C1)NCCCOc2ccccc2 2230a_100020629032_100000199009 [1,0,1,0,0,0|0,0,2]=4 308 B17R3.9620 c1ccc2c([nH]nc2c1)CNC3CCC3 270004a_100011642502_100000241760 [2,0,0,0,0,0|2,0,0]=4 309 B17R3.9620 c1ccc2c(c1)OCC2=NNC3CCC3 4a_100000736358_100000185568 [2,0,0,0,0,0|1,0,1]=4 310 B17R3.9620 c1ccc2c(c[nH]c2c1)CNC3CCC3 270004a_100015202335_100000241760 [2,0,0,0,0,0|1,0,0]=3 311 B17R3.9620 c1ccc2c(coc2c1)CNC3COC3 207a_100016991112_100000688544 [2,0,0,0,0,0|1,0,0]=3 312 B17R3.9620 c1ccc2c(coc2c1)CNC3COC3 270004a_100016991112_100000688544 [2,0,0,0,0,0|1,0,0]=3 313 B17R3.9620 c1ccc2c(coc2c1)CNC3CSC3 207a_100016994217_100000688544 [2,0,0,0,0,0|1,0,0]=3 314 B17R3.9620 c1ccc2c(coc2c1)CNC3CSC3 270004a_100016994217_100000688544 [2,0,0,0,0,0|1,0,0]=3 315 B17R3.9620 c1ccc2c(coc2c1)SCC3CCC3 62a_100000763275_100009812202 [2,0,0,0,0,0|2,0,0]=4 316 B17R3.9620 c1ccc2c(csc2c1)CNC3CCC3 2230a_100000749019_200000742921 [2,0,0,0,0,0|0,1,0]=3 317 B17R3.9620 c1ccc2c(csc2c1)CNC3CCC3 270004a_100000744611_100000241760 [2,0,0,0,0,0|0,1,0]=3 318 B17R3.9620 c1ccc2c(csc2c1)CNC3CCC3 34a_100000744611_100000749161 [2,0,0,0,0,0|0,1,0]=3 319 B17R3.9620 c1ccc2c(csc2c1)CNC3CCC3 34a_100000749019_200000742921 [2,0,0,0,0,0|0,1,0]=3 320 B17R3.9620 c1ccc2c(csc2c1)CNC3COC3 207a_100016991112_100000239721 [2,0,0,0,0,0|1,1,0]=4 321 B17R3.9620 c1ccc2c(csc2c1)CNC3COC3 2230a_100016991112_200000742921 [2,0,0,0,0,0|1,1,0]=4 322 B17R3.9620 c1ccc2c(csc2c1)CNC3COC3 270004a_100016991112_100000239721 [2,0,0,0,0,0|1,1,0]=4 323 B17R3.9620 c1ccc2c(csc2c1)CNC3COC3 34a_100000744611_100009818527 [2,0,0,0,0,0|1,1,0]=4 324 B17R3.9620 c1ccc2c(csc2c1)CNC3CSC3 207a_100016994217_100000239721 [2,0,0,0,0,0|1,1,0]=4 325 B17R3.9620 c1ccc2c(csc2c1)CNC3CSC3 270004a_100016994217_100000239721 [2,0,0,0,0,0|1,1,0]=4 326 B17R3.9620 c1ccc2c(csc2c1)COC3CCC3 34a_100000748187_200000742921 [2,0,0,0,0,0|1,1,0]=4 327 B17R3.9620 c1ccc2c(csc2c1)COC3CCC3 34a_100011219454_100000749161 [2,0,0,0,0,0|1,1,0]=4 328 B17R3.9620 c1ccc2c(csc2c1)CSC3CCC3 62a_200000742921_100000749161 [2,0,0,0,0,0|1,1,0]=4 329 B17R3.9620 c1ccc2c(noc2c1)CNC3CCC3 34a_100000749019_100009813815 [2,0,0,0,0,0|1,0,0]=3 330 B17R3.9620 c1ccc2c(noc2c1)COC3CCC3 34a_100000748187_100009813815 [2,0,0,0,0,0|2,0,0]=4 331 B17R3.9620 c1ccc2c(noc2c1)CSC3CCC3 62a_100009813815_100000749161 [2,0,0,0,0,0|2,0,0]=4 332 B17R3.9620 c1ccn2c(cnc2c1)CNC3CCC3 270004a_100015187830_100000241760 [2,0,0,0,0,0|2,0,0]=4 333 B19R2.12917 CC(CO)CCNC(C)c1coc2c1cccc2 269862a_106354213184_100000751042 [0,1,1,0,0,0|0,0,0]=2 334 B19R2.12917 CC(CO)CCNC(C)c1csc2c1cccc2 269862a_106354213184_100000689785 [0,1,1,0,0,0|0,1,0]=3 335 B19R2.12917 CC(CO)CCNC(C)c1n[nH]c2c1cccc2 269862a_106354213184_100000087549 [0,1,1,0,0,0|2,0,0]=4 336 B19R2.12917 CCC(C)CCNC(C)c1coc2c1cccc2 269862a_100020591266_100000751042 [0,1,1,0,0,0|1,0,0]=3 337 B19R2.12917 CCC(C)CCNC(C)c1csc2c1cccc2 269862a_100020591266_100000689785 [0,1,1,0,0,0|1,1,0]=4 338 B19R2.12917 CNC(=O)CCNC(C)c1coc2c1cccc2 269862a_100000738227_100000751042 [0,1,1,0,0,0|0,0,2]=4 339 B19R2.18031 CC(NCC(O)C(C)C)c1coc2c1cccc2 269862a_100000759067_100000751042 [0,1,1,0,0,0|1,0,0]=3 340 B19R2.18031 CC(NCC(O)C(C)C)c1csc2c1cccc2 269862a_100000759067_100000689785 [0,1,1,0,0,0|1,1,0]=4 341 B19R2.21032 CC(NCCC(C)(C)C)c1coc2c1cccc2 269862a_100000738805_100000751042 [0,1,1,0,0,0|1,0,0]=3 342 B19R2.21032 CC(NCCC(C)(C)C)c1csc2c1cccc2 269862a_100000738805_100000689785 [0,1,1,0,0,0|1,1,0]=4 343 B19R2.21032 CC(NCCC(C)(C)F)c1coc2c1cccc2 269862a_100016253952_100000751042 [0,1,1,0,0,0|1,0,0]=3 344 B19R2.21032 CC(NCCC(C)(C)F)c1csc2c1cccc2 269862a_100016253952_100000689785 [0,1,1,0,0,0|1,1,0]=4 345 B19R2.21032 CC(NCCC(C)(C)O)c1coc2c1cccc2 269862a_100000707701_100000751042 [0,1,1,0,0,0|0,0,0]=2 346 B19R2.21032 CC(NCCC(C)(C)O)c1csc2c1cccc2 269862a_100000707701_100000689785 [0,1,1,0,0,0|0,1,0]=3 347 B19R2.21032 CC(NCCC(C)(C)O)c1n[nH]c2c1cccc2 269862a_100000707701_100000087549 [0,1,1,0,0,0|2,0,0]=4 348 B19R2.21032 CC(NCCC(F)(F)F)c1coc2c1cccc2 269862a_100000740434_100000751042 [0,1,1,0,0,0|2,0,0]=4 349 B19R2.21032 CC(NCCS(=O)(=O)C)c1coc2c1cccc2 269862a_100000740961_100000751042 [0,1,1,0,0,0|1,0,1]=4 350 B19R2.21032 CC(NCC[N+](C)(C)C)c1coc2c1cccc2 269862a_100000106457_100000751042 [0,1,1,0,0,0|2,0,0]=4 351 B19R2.45867 CC(C)CC(C)NC(C)c1coc2c1cccc2 269862a_100000692259_100000751042 [0,1,1,0,0,0|1,0,0]=3 352 B19R2.45867 CC(C)CC(C)NC(C)c1csc2c1cccc2 269862a_100000692259_100000689785 [0,1,1,0,0,0|1,1,0]=4 353 B19R2.45867 CC(CN(C)C)NC(C)c1coc2c1cccc2 269862a_100016992788_100000751042 [0,1,1,0,0,0|2,0,0]=4 354 B19R2.614575 CC(C)CCNC(C)c1csc2c1cc(cc2)Br 269862a_100000210545_100010167055 [0,1,1,0,0,0|1,1,0]=4 355 B19R2.614575 CC(O)CCNC(C)c1cnc2n1cc(cc2)Br 269862a_200000755665_100010260146 [0,1,1,0,0,0|2,0,0]=4 356 B19R2.614575 CC(O)CCNC(C)c1csc2c1cc(cc2)Br 269862a_200000755665_100010167055 [0,1,1,0,0,0|0,1,0]=3 357 B19R2.614575 CC(O)CCNC(C)c1n[nH]c2c1cc(cc2)Br 269862a_200000755665_100010178523 [0,1,1,0,0,0|2,0,0]=4 358 B19R2.1652 CCCCC(C)NC(C)c1coc2c1cccc2 269862a_100000126638_100000751042 [0,1,1,0,0,0|1,0,0]=3 359 B19R2.1652 CCCCC(C)NC(C)c1csc2c1cccc2 269862a_100000126638_100000689785 [0,1,1,0,0,0|1,1,0]=4 360 B19R2.4884 C=CC[C@H](CO)NC(C)c1coc2c1cccc2 269862a_100020615467_100000751042 [0,1,1,0,0,0|1,0,1]=4 361 B19R2.4884 CCC(COC)NC(C)c1coc2c1cccc2 269862a_100000757820_100000751042 [0,1,1,0,0,0|2,0,0]=4 362 B19R2.4884 CCCC(CC)NC(C)c1coc2c1cccc2 269862a_100000747048_100000751042 [0,1,1,0,0,0|1,0,0]=3 363 B19R2.4884 CCCC(CC)NC(C)c1csc2c1cccc2 269862a_100000747048_100000689785 [0,1,1,0,0,0|1,1,0]=4 364 B19R2.4884 CCC[C@@H](CO)NC(C)c1coc2c1cccc2 269862a_100000732646_100000751042 [0,1,1,0,0,0|1,0,0]=3 365 B19R2.4884 CCC[C@@H](CO)NC(C)c1csc2c1cccc2 269862a_100000732646_100000689785 [0,1,1,0,0,0|1,1,0]=4 366 B19R2.4884 CC[C@H](CC#N)NC(C)c1coc2c1cccc2 269862a_200009818565_100000751042 [0,1,1,0,0,0|1,0,1]=4 367 B19R2.4884 COCC(CO)NC(C)c1coc2c1cccc2 269862a_100000724102_100000751042 [0,1,1,0,0,0|2,0,0]=4 368 B19R2.3374613 CC(N[C@H](C)CCO)c1cnc2n1cc(cc2)Br 269862a_100000706166_100010260146 [0,1,1,0,0,0|2,0,0]=4 369 B19R2.3374613 CC(N[C@H](C)CCO)c1csc2c1cc(cc2)Br 269862a_100000706166_100010167055 [0,1,1,0,0,0|0,1,0]=3 370 B19R2.3374613 CC(N[C@H](C)CCO)c1n[nH]c2c1cc(cc2)Br 269862a_100000706166_100010178523 [0,1,1,0,0,0|2,0,0]=4 371 B19R2.3374613 CCCC(C)NC(C)c1csc2c1cc(cc2)Br 269862a_100000741246_100010167055 [0,1,1,0,0,0|1,1,0]=4 372 B19R2.120064 CCOc1ccccc1CC(C)N[C@H]2C[C@@H](C2)O 270004a_100020629032_200000075427 [0,1,1,0,0,0|0,0,2]=4 373 B19R2.244953 COc1ccc(cc1CC(C)N[C@H]2C[C@@H](C2)O)Br 270004a_100020629032_200011493461 [0,1,1,0,0,0|0,0,2]=4 374 B19R2.244953 COc1ccc(cc1CC(C)N[C@H]2C[C@@H](C2)O)F 270004a_100020629032_200000084593 [0,1,1,0,0,0|0,0,2]=4 375 B19R2.317669 COc1ccccc1CC(C)N[C@H]2C[C@@](C2)(C)O 270004a_100121572536_100000211486 [0,1,1,0,0,0|0,0,2]=4 376 B19R2.317670 COc1ccccc1CC(C)NC2CC(C2)CO 270004a_100000095622_100000211486 [0,1,1,0,0,0|0,0,2]=4 377 B19R2.317670 COc1ccccc1CC(C)N[C@H]2C[C@@H](C2)OC 270004a_100121570643_100000211486 [0,1,1,0,0,0|0,0,2]=4 378 B19R2.188887 CO[C@H]1C[C@@H](C1)NC(C)C(=O)c2ccccc2Cl 2230a_100121570643_100010255250 [0,1,1,0,0,0|2,0,0]=4 379 B19R2.503244 CC(N[C@H]1C[C@@](C1)(C)O)C(=O)c2ccccc2Cl 2230a_100121572536_100010255250 [0,1,1,0,0,0|2,0,0]=4 380 B19R2.506119 CC(N[C@H]1C[C@@H](C1)O)C(=O)c2ccc(cc2F)F 2230a_100020629032_100000233463 [0,1,1,0,0,0|2,0,0]=4 381 B19R2.507181 CC(N[C@H]1C[C@@H](C1)O)C(=O)c2cc(ccc2F)F 2230a_100020629032_100000752636 [0,1,1,0,0,0|2,0,0]=4 382 B19R2.507181 Cc1ccc(c(c1)C(=O)C(C)N[C@H]2C[C@@H](C2)O)C 2230a_100020629032_100000184000 [0,1,1,0,0,0|2,0,0]=4 383 B19R2.955788 CC(N[C@H]1C[C@@H](C1)O)C(=O)c2c(cccc2F)F 2230a_100020629032_100010146243 [0,1,1,0,0,0|2,0,0]=4 384 B19R2.7624 CC(N[C@H]1C[C@@H](C1)O)C(=O)NCc2ccccc2 2230a_100020629032_100000183842 [0,1,1,0,0,0|2,0,0]=4 385 B19R3.1036 CO[C@H]1C[C@@H](C1)NCc2c[nH]c3c2ccnc3 270004a_100121570643_100000087688 [1,1,0,0,0,0|2,0,0]=4 386 B19R3.1036 CO[C@H]1C[C@@H](C1)NCc2cnc3n2cccc3 207a_100121570643_100000052358 [1,1,0,0,0,0|2,0,0]=4 387 B19R3.1036 CO[C@H]1C[C@@H](C1)NCc2cnc3n2cccc3 270004a_100121570643_100000052358 [1,1,0,0,0,0|2,0,0]=4 388 B19R3.1036 CO[C@H]1C[C@@H](C1)NCc2cnn3c2cccc3 207a_100121570643_100011787723 [1,1,0,0,0,0|2,0,0]=4 389 B19R3.1036 CO[C@H]1C[C@@H](C1)NCc2cnn3c2cccc3 270004a_100121570643_100011787723 [1,1,0,0,0,0|2,0,0]=4 390 B19R3.1036 CO[C@H]1C[C@@H](C1)NCc2coc3c2cccc3 207a_100121570643_100000688544 [1,1,0,0,0,0|0,0,0]=2 391 B19R3.1036 CO[C@H]1C[C@@H](C1)NCc2coc3c2cccc3 270004a_100121570643_100000688544 [1,1,0,0,0,0|0,0,0]=2 392 B19R3.1036 CO[C@H]1C[C@@H](C1)NCc2csc3c2cccc3 207a_100121570643_100000239721 [1,1,0,0,0,0|0,1,0]=3 393 B19R3.1036 CO[C@H]1C[C@@H](C1)NCc2csc3c2cccc3 2230a_100121570643_200000742921 [1,1,0,0,0,0|0,1,0]=3 394 B19R3.1036 CO[C@H]1C[C@@H](C1)NCc2csc3c2cccc3 270004a_100121570643_100000239721 [1,1,0,0,0,0|0,1,0]=3 395 B19R3.1036 CO[C@H]1C[C@@H](C1)NCc2n[nH]c3c2cccc3 207a_100121570643_100000059708 [1,1,0,0,0,0|2,0,0]=4 396 B19R3.1036 CO[C@H]1C[C@@H](C1)NCc2n[nH]c3c2cccc3 270004a_100121570643_100000059708 [1,1,0,0,0,0|2,0,0]=4 397 B19R3.1036 N#CC1CC(C1)NCc2c[nH]c3c2cccc3 270004a_100015202335_100000077199 [1,1,0,0,0,0|2,0,0]=4 398 B19R3.1036 N#CC1CC(C1)NCc2csc3c2cccc3 270004a_100000744611_100000077199 [1,1,0,0,0,0|1,1,0]=4 399 B19R3.1036 OCC1CC(C1)NCc2[nH]nc3c2cccc3 270004a_100011642502_100000101936 [1,1,0,0,0,0|2,0,0]=4 400 B19R3.1036 OCC1CC(C1)NCc2c[nH]c3c2cccc3 270004a_100015202335_100000101936 [1,1,0,0,0,0|1,0,0]=3 401 B19R3.1036 OCC1CC(C1)NCc2c[nH]c3c2ccnc3 270004a_100000095622_100000087688 [1,1,0,0,0,0|2,0,0]=4 402 B19R3.1036 OCC1CC(C1)NCc2cnc3n2cccc3 207a_100000095622_100000052358 [1,1,0,0,0,0|2,0,0]=4 403 B19R3.1036 OCC1CC(C1)NCc2cnc3n2cccc3 270004a_100000095622_100000052358 [1,1,0,0,0,0|2,0,0]=4 404 B19R3.1036 OCC1CC(C1)NCc2cnc3n2cccc3 270004a_100015187830_100000101936 [1,1,0,0,0,0|2,0,0]=4 405 B19R3.1036 OCC1CC(C1)NCc2cnn3c2cccc3 207a_100000095622_100011787723 [1,1,0,0,0,0|2,0,0]=4 406 B19R3.1036 OCC1CC(C1)NCc2cnn3c2cccc3 270004a_100000095622_100011787723 [1,1,0,0,0,0|2,0,0]=4 407 B19R3.1036 OCC1CC(C1)NCc2coc3c2cccc3 207a_100000095622_100000688544 [1,1,0,0,0,0|0,0,0]=2 408 B19R3.1036 OCC1CC(C1)NCc2coc3c2cccc3 270004a_100000095622_100000688544 [1,1,0,0,0,0|0,0,0]=2 409 B19R3.1036 OCC1CC(C1)NCc2csc3c2cccc3 207a_100000095622_100000239721 [1,1,0,0,0,0|0,1,0]=3 410 B19R3.1036 OCC1CC(C1)NCc2csc3c2cccc3 270004a_100000095622_100000239721 [1,1,0,0,0,0|0,1,0]=3 411 B19R3.1036 OCC1CC(C1)NCc2csc3c2cccc3 270004a_100000744611_100000101936 [1,1,0,0,0,0|0,1,0]=3 412 B19R3.1036 OCC1CC(C1)NCc2n[nH]c3c2cccc3 207a_100000095622_100000059708 [1,1,0,0,0,0|2,0,0]=4 413 B19R3.1036 OCC1CC(C1)NCc2n[nH]c3c2cccc3 270004a_100000095622_100000059708 [1,1,0,0,0,0|2,0,0]=4 414 B19R3.1036 OCC1CC(C1)SCc2csc3c2cccc3 62a_100009874164_200000742921 [1,1,0,0,0,0|1,1,0]=4 415 B19R3.1036 OCC1CC(C1)SCc2csc3c2cccc3 62a_200000742921_100009874164 [1,1,0,0,0,0|1,1,0]=4 416 B19R3.1036 OCC1CC(C1)SCc2noc3c2cccc3 62a_100009813815_100009874164 [1,1,0,0,0,0|2,0,0]=4 417 B19R3.1036 OCC1CC(C1)SCc2noc3c2cccc3 62a_100009874164_100009813815 [1,1,0,0,0,0|2,0,0]=4 418 B19R3.5911 O=C(Cc1coc2c1cccc2)N3CC(C3)O 11a_100000749847_100000217546 [1,1,0,0,0,0|2,0,0]=4 419 B19R3.5911 O=C(Cc1coc2c1cccc2)N3CC(C3)O 240690a_100000749847_100000217546 [1,1,0,0,0,0|2,0,0]=4 420 B19R3.5911 O=C(Cc1coc2c1cccc2)N3CC(C3)O 527a_100000749847_100000217546 [1,1,0,0,0,0|2,0,0]=4 421 B19R3.5911 O=C(Cc1csc2c1cccc2)[C@H]3C[C@H](C3)O 1458a_100015266633_200000742921 [1,1,0,0,0,0|1,1,0]=4 422 B19R3.5911 O=C(Cc1noc2c1cccc2)[C@H]3C[C@H](C3)O 1458a_100015266633_100009813815 [1,1,0,0,0,0|2,0,0]=4 423 B19R3.58648 Cc1ccn2c(cnc2c1)CN[C@H]3C[C@@H](C3)O 207a_100020629032_100000097740 [1,1,0,0,0,0|2,0,0]=4 424 B19R3.58648 Cc1ccn2c(cnc2c1)CN[C@H]3C[C@@H](C3)O 270004a_100020629032_100000097740 [1,1,0,0,0,0|2,0,0]=4 425 B19R3.58648 O[C@H]1C[C@@H](C1)NCc2c[nH]c3c2ncc(c3)Br 270004a_100020629032_100010168556 [1,1,0,0,0,0|2,0,0]=4 426 B19R3.58648 O[C@H]1C[C@@H](C1)NCc2cnc3n2ccc(c3)Br 207a_100020629032_100010220036 [1,1,0,0,0,0|2,0,0]=4 427 B19R3.58648 O[C@H]1C[C@@H](C1)NCc2cnc3n2ccc(c3)Br 270004a_100020629032_100010220036 [1,1,0,0,0,0|2,0,0]=4 428 B19R3.58648 O[C@H]1C[C@@H](C1)NCc2cnc3n2ccc(c3)Cl 270004a_100020629032_100000097743 [1,1,0,0,0,0|2,0,0]=4 429 B19R3.58648 O[C@H]1C[C@@H](C1)NCc2cnc3n2ccc(c3)F 207a_100020629032_100010721590 [1,1,0,0,0,0|2,0,0]=4 430 B19R3.58648 O[C@H]1C[C@@H](C1)NCc2cnc3n2ccc(c3)F 270004a_100020629032_100010721590 [1,1,0,0,0,0|2,0,0]=4 431 B19R3.58648 O[C@H]1C[C@@H](C1)NCc2n[nH]c3c2ccc(c3)Br 207a_100020629032_100009817233 [1,1,0,0,0,0|2,0,0]=4 432 B19R3.58648 O[C@H]1C[C@@H](C1)NCc2n[nH]c3c2ccc(c3)Br 270004a_100020629032_100009817233 [1,1,0,0,0,0|2,0,0]=4 433 B19R3.58648 O[C@H]1C[C@@H](C1)NCc2n[nH]c3c2ccc(c3)Cl 207a_100020629032_100000086628 [1,1,0,0,0,0|2,0,0]=4 434 B19R3.58648 O[C@H]1C[C@@H](C1)NCc2n[nH]c3c2ccc(c3)Cl 270004a_100020629032_100000086628 [1,1,0,0,0,0|2,0,0]=4 435 B19R3.58648 O[C@H]1C[C@@H](C1)NCc2n[nH]c3c2ccc(c3)F 207a_100020629032_100000086633 [1,1,0,0,0,0|2,0,0]=4 436 B19R3.58648 O[C@H]1C[C@@H](C1)NCc2n[nH]c3c2ccc(c3)F 270004a_100020629032_100000086633 [1,1,0,0,0,0|2,0,0]=4 437 B19R3.2246980 C[C@@]1(C[C@H](C1)NCc2c[nH]c3c2ccnc3)O 270004a_100121572536_100000087688 [1,1,0,0,0,0|2,0,0]=4 438 B19R3.2246980 C[C@@]1(C[C@H](C1)NCc2cnc3n2cccc3)O 207a_100121572536_100000052358 [1,1,0,0,0,0|2,0,0]=4 439 B19R3.2246980 C[C@@]1(C[C@H](C1)NCc2cnc3n2cccc3)O 270004a_100121572536_100000052358 [1,1,0,0,0,0|2,0,0]=4 440 B19R3.2246980 C[C@@]1(C[C@H](C1)NCc2cnn3c2cccc3)O 207a_100121572536_100011787723 [1,1,0,0,0,0|2,0,0]=4 441 B19R3.2246980 C[C@@]1(C[C@H](C1)NCc2cnn3c2cccc3)O 270004a_100121572536_100011787723 [1,1,0,0,0,0|2,0,0]=4 442 B19R3.2246980 C[C@@]1(C[C@H](C1)NCc2coc3c2cccc3)O 207a_100121572536_100000688544 [1,1,0,0,0,0|0,0,0]=2 443 B19R3.2246980 C[C@@]1(C[C@H](C1)NCc2coc3c2cccc3)O 270004a_100121572536_100000688544 [1,1,0,0,0,0|0,0,0]=2 444 B19R3.2246980 C[C@@]1(C[C@H](C1)NCc2csc3c2cccc3)O 207a_100121572536_100000239721 [1,1,0,0,0,0|0,1,0]=3 445 B19R3.2246980 C[C@@]1(C[C@H](C1)NCc2csc3c2cccc3)O 2230a_100121572536_200000742921 [1,1,0,0,0,0|0,1,0]=3 446 B19R3.2246980 C[C@@]1(C[C@H](C1)NCc2csc3c2cccc3)O 270004a_100121572536_100000239721 [1,1,0,0,0,0|0,1,0]=3 447 B19R3.2246980 C[C@@]1(C[C@H](C1)NCc2n[nH]c3c2cccc3)O 207a_100121572536_100000059708 [1,1,0,0,0,0|2,0,0]=4 448 B19R3.2246980 C[C@@]1(C[C@H](C1)NCc2n[nH]c3c2cccc3)O 270004a_100121572536_100000059708 [1,1,0,0,0,0|2,0,0]=4 449 B19R3.2246980 FC1(CC(C1)NCc2c[nH]c3c2cccc3)F 270004a_100015202335_100000144187 [1,1,0,0,0,0|2,0,0]=4 450 B19R3.2246980 FC1(CC(C1)NCc2coc3c2cccc3)F 207a_100000756238_100000688544 [1,1,0,0,0,0|1,0,0]=3 451 B19R3.2246980 FC1(CC(C1)NCc2coc3c2cccc3)F 270004a_100000756238_100000688544 [1,1,0,0,0,0|1,0,0]=3 452 B19R3.2246980 FC1(CC(C1)NCc2csc3c2cccc3)F 207a_100000756238_100000239721 [1,1,0,0,0,0|1,1,0]=4 453 B19R3.2246980 FC1(CC(C1)NCc2csc3c2cccc3)F 2230a_100000756238_200000742921 [1,1,0,0,0,0|1,1,0]=4 454 B19R3.2246980 FC1(CC(C1)NCc2csc3c2cccc3)F 270004a_100000744611_100000144187 [1,1,0,0,0,0|1,1,0]=4 455 B19R3.2246980 FC1(CC(C1)NCc2csc3c2cccc3)F 270004a_100000756238_100000239721 [1,1,0,0,0,0|1,1,0]=4 456 B19R3.2246980 FC1(CC(C1)NCc2csc3c2cccc3)F 34a_100000744611_100010741680 [1,1,0,0,0,0|1,1,0]=4 457 B19R3.2246980 O=S1(=O)CC(C1)NCc2coc3c2cccc3 207a_100000695474_100000688544 [1,1,0,0,0,0|1,0,1]=4 458 B19R3.2470030 Cc1ccc2[nH]nc(c2c1)CN[C@H]3C[C@@H](C3)O 207a_100020629032_100000050950 [1,1,0,0,0,0|2,0,0]=4 459 B19R3.2470030 Cc1ccc2[nH]nc(c2c1)CN[C@H]3C[C@@H](C3)O 270004a_100020629032_100000050950 [1,1,0,0,0,0|2,0,0]=4 460 B19R3.2470030 Cc1ccc2ncc(n2c1)CN[C@H]3C[C@@H](C3)O 207a_100020629032_100000097737 [1,1,0,0,0,0|2,0,0]=4 461 B19R3.2470030 Cc1ccc2ncc(n2c1)CN[C@H]3C[C@@H](C3)O 270004a_100020629032_100000097737 [1,1,0,0,0,0|2,0,0]=4 462 B19R3.2470030 FC1CC(C1)NCc2csc3c2cc(cc3)Br 207a_100016993743_100009814807 [1,1,0,0,0,0|1,1,0]=4 463 B19R3.2470030 FC1CC(C1)NCc2csc3c2cc(cc3)Br 270004a_100016993743_100009814807 [1,1,0,0,0,0|1,1,0]=4 464 B19R3.2470030 FC1CC(C1)NCc2csc3c2cc(cc3)Cl 207a_100016993743_100000040578 [1,1,0,0,0,0|1,1,0]=4 465 B19R3.2470030 FC1CC(C1)NCc2csc3c2cc(cc3)Cl 2230a_100016993743_100009814428 [1,1,0,0,0,0|1,1,0]=4 466 B19R3.2470030 FC1CC(C1)NCc2csc3c2cc(cc3)Cl 270004a_100016993743_100000040578 [1,1,0,0,0,0|1,1,0]=4 467 B19R3.2470030 Fc1ccc2scc(c2c1)CNC3CC(C3)F 2230a_100016993743_100010109839 [1,1,0,0,0,0|1,1,0]=4 468 B19R3.2470030 O[C@H]1C[C@@H](C1)NCc2cnc3n2cc(cc3)Br 207a_100020629032_100000757799 [1,1,0,0,0,0|2,0,0]=4 469 B19R3.2470030 O[C@H]1C[C@@H](C1)NCc2cnc3n2cc(cc3)Br 270004a_100020629032_100000757799 [1,1,0,0,0,0|2,0,0]=4 470 B19R3.2470030 O[C@H]1C[C@@H](C1)NCc2cnc3n2cc(cc3)Cl 207a_100020629032_100000095899 [1,1,0,0,0,0|2,0,0]=4 471 B19R3.2470030 O[C@H]1C[C@@H](C1)NCc2cnc3n2cc(cc3)Cl 270004a_100020629032_100000095899 [1,1,0,0,0,0|2,0,0]=4 472 B19R3.2470030 O[C@H]1C[C@@H](C1)NCc2csc3c2cc(cc3)Br 207a_100020629032_100009814807 [1,1,0,0,0,0|0,1,0]=3 473 B19R3.2470030 O[C@H]1C[C@@H](C1)NCc2csc3c2cc(cc3)Br 270004a_100020629032_100009814807 [1,1,0,0,0,0|0,1,0]=3 474 B19R3.2470030 O[C@H]1C[C@@H](C1)NCc2csc3c2cc(cc3)Cl 207a_100020629032_100000040578 [1,1,0,0,0,0|0,1,0]=3 475 B19R3.2470030 O[C@H]1C[C@@H](C1)NCc2csc3c2cc(cc3)Cl 2230a_100020629032_100009814428 [1,1,0,0,0,0|0,1,0]=3 476 B19R3.2470030 O[C@H]1C[C@@H](C1)NCc2csc3c2cc(cc3)Cl 270004a_100020629032_100000040578 [1,1,0,0,0,0|0,1,0]=3 477 B19R3.2470030 O[C@H]1C[C@@H](C1)NCc2csc3c2cc(cc3)F 2230a_100020629032_100010109839 [1,1,0,0,0,0|0,1,0]=3 478 B19R3.2470030 O[C@H]1C[C@@H](C1)NCc2n[nH]c3c2cc(cc3)Br 207a_100020629032_100009888965 [1,1,0,0,0,0|2,0,0]=4 479 B19R3.2470030 O[C@H]1C[C@@H](C1)NCc2n[nH]c3c2cc(cc3)Br 270004a_100020629032_100009888965 [1,1,0,0,0,0|2,0,0]=4 480 B19R3.2470030 O[C@H]1C[C@@H](C1)NCc2n[nH]c3c2cc(cc3)Cl 207a_100020629032_100000086617 [1,1,0,0,0,0|2,0,0]=4 481 B19R3.2470030 O[C@H]1C[C@@H](C1)NCc2n[nH]c3c2cc(cc3)Cl 270004a_100020629032_100000086617 [1,1,0,0,0,0|2,0,0]=4 482 B19R3.2470030 O[C@H]1C[C@@H](C1)NCc2n[nH]c3c2cc(cc3)F 207a_100020629032_100000084349 [1,1,0,0,0,0|2,0,0]=4 483 B19R3.2470030 O[C@H]1C[C@@H](C1)NCc2n[nH]c3c2cc(cc3)F 270004a_100020629032_100000084349 [1,1,0,0,0,0|2,0,0]=4 484 B19R3.2481159 Cn1nc(c2c1cccc2)CN[C@H]3C[C@@H](C3)O 207a_100020629032_100011361492 [1,1,0,0,0,0|2,0,0]=4 485 B19R3.2481159 Cn1nc(c2c1cccc2)CN[C@H]3C[C@@H](C3)O 270004a_100020629032_100011361492 [1,1,0,0,0,0|2,0,0]=4 486 B19R3.2483602 Cc1nc2ccccn2c1CN[C@H]3C[C@@H](C3)O 207a_100020629032_100000182234 [1,1,0,0,0,0|2,0,0]=4 487 B19R3.2483602 Cc1sc2ccccc2c1CNC3CC(C3)F 207a_100016993743_100000066825 [1,1,0,0,0,0|1,1,0]=4 488 B19R3.2483602 Cc1sc2ccccc2c1CNC3CC(C3)F 270004a_100016993743_100000066825 [1,1,0,0,0,0|1,1,0]=4 489 B19R3.2483602 Cc1sc2ccccc2c1CN[C@H]3C[C@@H](C3)O 207a_100020629032_100000066825 [1,1,0,0,0,0|0,1,0]=3 490 B19R3.2483602 Cc1sc2ccccc2c1CN[C@H]3C[C@@H](C3)O 270004a_100020629032_100000066825 [1,1,0,0,0,0|0,1,0]=3 491 B19R3.2483602 Cn1nc2ccccc2c1CN[C@H]3C[C@@H](C3)O 207a_100020629032_100000066482 [1,1,0,0,0,0|2,0,0]=4 492 B19R3.2483602 Cn1nc2ccccc2c1CN[C@H]3C[C@@H](C3)O 270004a_100020629032_100000066482 [1,1,0,0,0,0|2,0,0]=4 493 B19R3.2483602 O[C@H]1C[C@@H](C1)NCn2c(=S)sc3c2cccc3 2230a_100020629032_200000011012 [1,1,0,0,0,0|1,1,0]=4 494 B19R3.3008031 Cc1cccc2c1[nH]cc2CNC3CC(C3)F 270004a_100016993743_100000040139 [1,1,0,0,0,0|2,0,0]=4 495 B19R3.3008031 Cc1cccc2c1[nH]cc2CN[C@H]3C[C@@H](C3)O 270004a_100020629032_100000040139 [1,1,0,0,0,0|1,0,0]=3 496 B19R3.3008031 Cc1cccc2c1[nH]nc2CN[C@H]3C[C@@H](C3)O 207a_100020629032_100000050344 [1,1,0,0,0,0|2,0,0]=4 497 B19R3.3008031 Cc1cccc2c1[nH]nc2CN[C@H]3C[C@@H](C3)O 270004a_100020629032_100000050344 [1,1,0,0,0,0|2,0,0]=4 498 B19R3.3008031 FC1CC(C1)NCc2c[nH]c3c2cccc3Br 270004a_100016993743_100009814786 [1,1,0,0,0,0|2,0,0]=4 499 B19R3.3008031 FC1CC(C1)NCc2c[nH]c3c2cccc3Cl 270004a_100016993743_100011361501 [1,1,0,0,0,0|2,0,0]=4 500 B19R3.3008031 O[C@H]1C[C@@H](C1)NCc2c[nH]c3c2cccc3Br 270004a_100020629032_100009814786 [1,1,0,0,0,0|1,0,0]=3 501 B19R3.3008031 O[C@H]1C[C@@H](C1)NCc2c[nH]c3c2cccc3Cl 270004a_100020629032_100011361501 [1,1,0,0,0,0|1,0,0]=3 502 B19R3.3008031 O[C@H]1C[C@@H](C1)NCc2cnc3n2cccc3Br 207a_100020629032_100010272206 [1,1,0,0,0,0|2,0,0]=4 503 B19R3.3008031 O[C@H]1C[C@@H](C1)NCc2cnc3n2cccc3Br 270004a_100020629032_100010272206 [1,1,0,0,0,0|2,0,0]=4 504 B19R3.3008031 O[C@H]1C[C@@H](C1)NCc2n[nH]c3c2cccc3Br 207a_100020629032_100009814788 [1,1,0,0,0,0|2,0,0]=4 505 B19R3.3008031 O[C@H]1C[C@@H](C1)NCc2n[nH]c3c2cccc3Br 270004a_100020629032_100009814788 [1,1,0,0,0,0|2,0,0]=4 506 B19R3.3013123 Cc1cccc2n1c(cn2)CN[C@H]3C[C@@H](C3)O 207a_100020629032_100000101704 [1,1,0,0,0,0|2,0,0]=4 507 B19R3.3013123 Cc1cccc2n1c(cn2)CN[C@H]3C[C@@H](C3)O 270004a_100020629032_100000101704 [1,1,0,0,0,0|2,0,0]=4 508 B19R3.3013123 O[C@H]1C[C@@H](C1)NCc2cnc3n2c(ccc3)Cl 270004a_100020629032_100000099958 [1,1,0,0,0,0|2,0,0]=4 509 B19R3.2470002 CC(NC1CCC1)c2cnc3n2cc(cc3)Br 269862a_100000749019_100010260146 [1,1,0,0,0,0|2,0,0]=4 510 B19R3.2470002 CC(NC1CCC1)c2csc3c2cc(cc3)Br 269862a_100000749019_100010167055 [1,1,0,0,0,0|0,1,0]=3 511 B19R3.2470002 CC(NC1CCC1)c2n[nH]c3c2cc(cc3)Br 269862a_100000749019_100010178523 [1,1,0,0,0,0|2,0,0]=4 512 B19R3.2470002 CC(NC1COC1)c2csc3c2cc(cc3)Br 269862a_100016991112_100010167055 [1,1,0,0,0,0|1,1,0]=4 513 B19R3.2470002 CC(NC1CSC1)c2csc3c2cc(cc3)Br 269862a_100016994217_100010167055 [1,1,0,0,0,0|1,1,0]=4 514 B21R3.3698 CCN1CCC(C1)NC(C)c2coc3c2cccc3 269862a_100015188829_100000751042 [0,1,0,0,0,1|2,0,0]=4 515 B21R3.7724 CC(NC1CC(=O)N(C1)C)c2coc3c2cccc3 269862a_100000748898_100000751042 [0,1,0,0,0,1|0,0,2]=4 516 B21R3.521189 CC(NC1CCC(C1)(F)F)c2coc3c2cccc3 269862a_100000689000_100000751042 [0,1,0,0,0,1|1,0,0]=3 517 B21R3.521189 CC(NC1CCC(C1)(F)F)c2csc3c2cccc3 269862a_100000689000_100000689785 [0,1,0,0,0,1|1,1,0]=4 518 B21R3.3733142 CC(N[C@H]1CC[C@H](C1)O)c2cnc3n2cc(cc3)Br 269862a_100015195300_100010260146 [0,1,0,0,0,1|2,0,0]=4 519 B21R3.3733142 CC(N[C@H]1CC[C@H](C1)O)c2csc3c2cc(cc3)Br 269862a_100015195300_100010167055 [0,1,0,0,0,1|0,1,0]=3 520 B21R3.3733142 CC(N[C@H]1CC[C@H](C1)O)c2n[nH]c3c2cc(cc3)Br 269862a_100015195300_100010178523 [0,1,0,0,0,1|2,0,0]=4 521 B21R3.21133 CC(C(=O)N[C@H]1C[C@@H](C1)O)n2cnc3c2cccc3 11a_100020629032_100000691514 [0,1,0,0,0,1|2,0,0]=4 522 B21R3.21133 CC(C(=O)N[C@H]1C[C@@H](C1)O)n2cnc3c2cccc3 1626a_100020629032_100000691514 [0,1,0,0,0,1|2,0,0]=4 523 B21R3.21133 CC(C(=O)N[C@H]1C[C@@H](C1)O)n2cnc3c2cccc3 240690a_100020629032_100000691514 [0,1,0,0,0,1|2,0,0]=4 524 B21R3.21133 CC(C(=O)N[C@H]1C[C@@H](C1)O)n2cnc3c2cccc3 527a_100020629032_100000691514 [0,1,0,0,0,1|2,0,0]=4 525 B21R3.521894 CC(NCC1CC(C1)(F)F)c2coc3c2cccc3 269862a_100000734121_100000751042 [0,1,0,0,0,1|1,0,0]=3 526 B21R3.521894 CC(NCC1CC(C1)(F)F)c2csc3c2cccc3 269862a_100000734121_100000689785 [0,1,0,0,0,1|1,1,0]=4 527 B21R3.521894 CC(NC[C@H]1C[C@@](C1)(C)O)c2coc3c2cccc3 269862a_100015257651_100000751042 [0,1,0,0,0,1|0,0,0]=2 528 B21R3.521894 CC(NC[C@H]1C[C@@](C1)(C)O)c2csc3c2cccc3 269862a_100015257651_100000689785 [0,1,0,0,0,1|0,1,0]=3 529 B21R3.521894 CC(NC[C@H]1C[C@@](C1)(C)O)c2n[nH]c3c2cccc3 269862a_100015257651_100000087549 [0,1,0,0,0,1|2,0,0]=4 530 B21R3.4794638 CC(NCC1CC(C1)O)c2cnc3n2cc(cc3)Br 269862a_100016992100_100010260146 [0,1,0,0,0,1|2,0,0]=4 531 B21R3.4794638 CC(NCC1CC(C1)O)c2csc3c2cc(cc3)Br 269862a_100016992100_100010167055 [0,1,0,0,0,1|0,1,0]=3 532 B21R3.4794638 CC(NCC1CC(C1)O)c2n[nH]c3c2cc(cc3)Br 269862a_100016992100_100010178523 [0,1,0,0,0,1|2,0,0]=4 533 B21R3.38406 CC(Cc1c[nH]c2c1cccc2)NC3CC(C3)CO 270004a_100000095622_100000030300 [0,1,0,0,0,1|1,0,0]=3 534 B21R3.38406 CO[C@H]1C[C@@H](C1)NC(=O)Cc2coc3c2cccc3 11a_100121570643_100000217546 [0,1,0,0,0,1|1,0,1]=4 535 B21R3.38406 CO[C@H]1C[C@@H](C1)NC(=O)Cc2coc3c2cccc3 1626a_100121570643_100000217546 [0,1,0,0,0,1|1,0,1]=4 536 B21R3.38406 CO[C@H]1C[C@@H](C1)NC(=O)Cc2coc3c2cccc3 240690a_100121570643_100000217546 [0,1,0,0,0,1|1,0,1]=4 537 B21R3.38406 CO[C@H]1C[C@@H](C1)NC(=O)Cc2coc3c2cccc3 527a_100121570643_100000217546 [0,1,0,0,0,1|1,0,1]=4 538 B21R3.38406 CO[C@H]1C[C@@H](C1)NC(C)Cc2c[nH]c3c2cccc3 270004a_100121570643_100000030300 [0,1,0,0,0,1|1,0,0]=3 539 B21R3.38406 O=C(Cc1coc2c1cccc2)NC3CC(C3)CO 240690a_100000095622_100000217546 [0,1,0,0,0,1|1,0,1]=4 540 B21R3.38406 O=C(Cc1coc2c1cccc2)NC3CC(C3)CO 527a_100000095622_100000217546 [0,1,0,0,0,1|1,0,1]=4 541 B21R3.162248 O=C(Cc1coc2c1ccc(c2)O)N[C@H]3C[C@@H](C3)O 240690a_100020629032_100000010777 [0,1,0,0,0,1|1,0,1]=4 542 B21R3.2568530 CC(Cc1c[nH]c2c1cccc2)NC3CC(C3)(F)F 270004a_100000756238_100000030300 [0,1,0,0,0,1|2,0,0]=4 543 B21R3.2568530 CC(Cc1c[nH]c2c1cccc2)N[C@H]3C[C@@](C3)(C)O 270004a_100121572536_100000030300 [0,1,0,0,0,1|1,0,0]=3 544 B21R3.2568530 C[C@@]1(C[C@H](C1)NC(=O)Cc2coc3c2cccc3)O 11a_100121572536_100000217546 [0,1,0,0,0,1|1,0,1]=4 545 B21R3.2568530 C[C@@]1(C[C@H](C1)NC(=O)Cc2coc3c2cccc3)O 1626a_100121572536_100000217546 [0,1,0,0,0,1|1,0,1]=4 546 B21R3.2568530 C[C@@]1(C[C@H](C1)NC(=O)Cc2coc3c2cccc3)O 240690a_100121572536_100000217546 [0,1,0,0,0,1|1,0,1]=4 547 B21R3.2568530 C[C@@]1(C[C@H](C1)NC(=O)Cc2coc3c2cccc3)O 527a_100121572536_100000217546 [0,1,0,0,0,1|1,0,1]=4 548 B21R3.4794625 Cc1ccc2occ(c2c1)CC(=O)N[C@H]3C[C@@H](C3)O 11a_100020629032_100000188615 [0,1,0,0,0,1|1,0,1]=4 549 B21R3.4794625 Cc1ccc2occ(c2c1)CC(=O)N[C@H]3C[C@@H](C3)O 1626a_100020629032_100000188615 [0,1,0,0,0,1|1,0,1]=4 550 B21R3.4794625 Cc1ccc2occ(c2c1)CC(=O)N[C@H]3C[C@@H](C3)O 240690a_100020629032_100000188615 [0,1,0,0,0,1|1,0,1]=4 551 B21R3.4794625 Cc1ccc2occ(c2c1)CC(=O)N[C@H]3C[C@@H](C3)O 527a_100020629032_100000188615 [0,1,0,0,0,1|1,0,1]=4 552 B21R3.240009 CC(N[C@H]1C[C@@H](C1)O)c2ccc3ccccc3c2O 269862a_100020629032_100000212095 [0,1,0,0,0,1|1,0,0]=3 553 B21R3.240014 Cc1nc2ccccc2cc1C(C)N[C@H]3C[C@@H](C3)O 269862a_100020629032_100000093431 [0,1,0,0,0,1|1,0,0]=3 554 B21R3.240014 Cc1nc2ccccc2nc1C(C)N[C@H]3C[C@@H](C3)O 269862a_100020629032_200000069506 [0,1,0,0,0,1|1,0,0]=3 555 B21R3.824267 CC(NC1CC(C1)C#N)c2ccc3ccccc3c2 270004a_100000737073_100000077199 [0,1,0,0,0,1|2,0,0]=4 556 B21R3.824267 CC(NC1CC(C1)CO)C2COc3ccccc3O2 270004a_100000095622_100011934066 [0,1,0,0,0,1|0,0,2]=4 557 B21R3.824267 CC(NC1CC(C1)CO)C2COc3ccccc3O2 270004a_100015185755_100000101936 [0,1,0,0,0,1|0,0,2]=4 558 B21R3.824267 CC(NC1CC(C1)CO)c2cc3ccccc3cn2 269862a_100000095622_200000084103 [0,1,0,0,0,1|2,0,0]=4 559 B21R3.824267 CC(NC1CC(C1)CO)c2ccc3ccccc3c2 269862a_100000095622_100000210793 [0,1,0,0,0,1|1,0,0]=3 560 B21R3.824267 CC(NC1CC(C1)CO)c2ccc3ccccc3c2 270004a_100000737073_100000101936 [0,1,0,0,0,1|1,0,0]=3 561 B21R3.824267 CC(NC1CC(C1)CO)c2ccc3ccccc3n2 269862a_100000095622_100000684817 [0,1,0,0,0,1|1,0,0]=3 562 B21R3.824267 CC(NC1CC(C1)CO)c2ccc3ncccc3c2 269862a_100000095622_100011286481 [0,1,0,0,0,1|2,0,0]=4 563 B21R3.824267 CC(NC1CC(C1)CO)c2cnc3ccccc3c2 269862a_100000095622_100011376191 [0,1,0,0,0,1|1,0,0]=3 564 B21R3.824267 CC(NC1CC(C1)CO)c2cnc3ccccc3n2 269862a_100000095622_100011830413 [0,1,0,0,0,1|1,0,0]=3 565 B21R3.824267 CO[C@H]1C[C@@H](C1)NC(C)C2COc3ccccc3O2 270004a_100121570643_100011934066 [0,1,0,0,0,1|0,0,2]=4 566 B21R3.824267 CO[C@H]1C[C@@H](C1)NC(C)c2cc3ccccc3cn2 269862a_100121570643_200000084103 [0,1,0,0,0,1|2,0,0]=4 567 B21R3.824267 CO[C@H]1C[C@@H](C1)NC(C)c2ccc3ccccc3c2 269862a_100121570643_100000210793 [0,1,0,0,0,1|1,0,0]=3 568 B21R3.824267 CO[C@H]1C[C@@H](C1)NC(C)c2ccc3ccccc3n2 269862a_100121570643_100000684817 [0,1,0,0,0,1|1,0,0]=3 569 B21R3.824267 CO[C@H]1C[C@@H](C1)NC(C)c2ccc3ncccc3c2 269862a_100121570643_100011286481 [0,1,0,0,0,1|2,0,0]=4 570 B21R3.824267 CO[C@H]1C[C@@H](C1)NC(C)c2cnc3ccccc3c2 269862a_100121570643_100011376191 [0,1,0,0,0,1|1,0,0]=3 571 B21R3.824267 CO[C@H]1C[C@@H](C1)NC(C)c2cnc3ccccc3n2 269862a_100121570643_100011830413 [0,1,0,0,0,1|1,0,0]=3 572 B21R3.2222853 CCC(N[C@H]1C[C@@H](C1)O)c2ccc3ccccc3c2 269862a_100020629032_200011220454 [0,1,0,0,0,1|1,0,0]=3 573 B21R3.3837606 CC(N[C@H]1C[C@@H](C1)O)c2ccc3ncc(cc3c2)Br 269862a_100020629032_100010254247 [0,1,0,0,0,1|2,0,0]=4 574 B21R3.3839484 CC(N[C@H]1C[C@@H](C1)O)c2ccc3cc(ccc3c2)Br 269862a_100020629032_100012339427 [0,1,0,0,0,1|1,0,0]=3 575 B21R3.3839484 CC(N[C@H]1C[C@@H](C1)O)c2ccc3cc(ccc3c2)O 269862a_100020629032_100000074906 [0,1,0,0,0,1|1,0,0]=3 576 B21R3.7997554 CC(NC1CC(C1)(F)F)c2ccc3ccccc3c2 270004a_100000737073_100000144187 [0,1,0,0,0,1|2,0,0]=4 577 B21R3.7997554 CC(N[C@H]1C[C@@](C1)(C)O)C2COc3ccccc3O2 270004a_100121572536_100011934066 [0,1,0,0,0,1|0,0,2]=4 578 B21R3.7997554 CC(N[C@H]1C[C@@](C1)(C)O)c2cc3ccccc3cn2 269862a_100121572536_200000084103 [0,1,0,0,0,1|2,0,0]=4 579 B21R3.7997554 CC(N[C@H]1C[C@@](C1)(C)O)c2ccc3ccccc3c2 269862a_100121572536_100000210793 [0,1,0,0,0,1|1,0,0]=3 580 B21R3.7997554 CC(N[C@H]1C[C@@](C1)(C)O)c2ccc3ccccc3n2 269862a_100121572536_100000684817 [0,1,0,0,0,1|1,0,0]=3 581 B21R3.7997554 CC(N[C@H]1C[C@@](C1)(C)O)c2ccc3ncccc3c2 269862a_100121572536_100011286481 [0,1,0,0,0,1|2,0,0]=4 582 B21R3.7997554 CC(N[C@H]1C[C@@](C1)(C)O)c2cnc3ccccc3c2 269862a_100121572536_100011376191 [0,1,0,0,0,1|1,0,0]=3 583 B21R3.7997554 CC(N[C@H]1C[C@@](C1)(C)O)c2cnc3ccccc3n2 269862a_100121572536_100011830413 [0,1,0,0,0,1|1,0,0]=3 584 B21R3.828163 CC(NC1CC(C1)CO)c2cccc3c2cccc3 269862a_100000095622_100000210126 [0,1,0,0,0,1|1,0,0]=3 585 B21R3.828163 CC(NC1CC(C1)CO)c2cccc3c2nccc3 269862a_100000095622_100011995788 [0,1,0,0,0,1|2,0,0]=4 586 B21R3.828163 CC(NC1CC(C1)CO)c2cncc3c2cccc3 269862a_100000095622_100011951259 [0,1,0,0,0,1|1,0,0]=3 587 B21R3.828163 CC(NC1CC(C1)CO)c2nccc3c2cccc3 269862a_100000095622_100000742330 [0,1,0,0,0,1|1,0,0]=3 588 B21R3.828163 CO[C@H]1C[C@@H](C1)NC(C)c2cccc3c2cccc3 269862a_100121570643_100000210126 [0,1,0,0,0,1|1,0,0]=3 589 B21R3.828163 CO[C@H]1C[C@@H](C1)NC(C)c2cccc3c2nccc3 269862a_100121570643_100011995788 [0,1,0,0,0,1|2,0,0]=4 590 B21R3.828163 CO[C@H]1C[C@@H](C1)NC(C)c2cncc3c2cccc3 269862a_100121570643_100011951259 [0,1,0,0,0,1|1,0,0]=3 591 B21R3.828163 CO[C@H]1C[C@@H](C1)NC(C)c2nccc3c2cccc3 269862a_100121570643_100000742330 [0,1,0,0,0,1|1,0,0]=3 592 B21R3.828163 C[C@H](NC1CC(C1)C#N)c2cccc3c2cccc3 270004a_100011830313_100000077199 [0,1,0,0,0,1|2,0,0]=4 593 B21R3.828163 C[C@H](NC1CC(C1)CO)c2cccc3c2cccc3 270004a_100011830313_100000101936 [0,1,0,0,0,1|1,0,0]=3 594 B21R3.7116781 CC(N[C@H]1C[C@@H](C1)O)c2ccc(c3c2cccc3)Br 269862a_100020629032_100012355271 [0,1,0,0,0,1|1,0,0]=3 595 B21R3.7116781 CC(N[C@H]1C[C@@H](C1)O)c2ccc(c3c2cccc3)F 269862a_100020629032_100011218236 [0,1,0,0,0,1|1,0,0]=3 596 B21R3.7116781 CC(N[C@H]1C[C@@H](C1)O)c2ccc(c3c2nccc3)Cl 269862a_100020629032_100011159007 [0,1,0,0,0,1|2,0,0]=4 597 B21R3.7116781 Cc1ccc(c2c1cccc2)C(C)N[C@H]3C[C@@H](C3)O 269862a_100020629032_100011216557 [0,1,0,0,0,1|1,0,0]=3 598 B21R3.7997519 CC(N[C@H]1C[C@@](C1)(C)O)c2cccc3c2cccc3 269862a_100121572536_100000210126 [0,1,0,0,0,1|1,0,0]=3 599 B21R3.7997519 CC(N[C@H]1C[C@@](C1)(C)O)c2cccc3c2nccc3 269862a_100121572536_100011995788 [0,1,0,0,0,1|2,0,0]=4 600 B21R3.7997519 CC(N[C@H]1C[C@@](C1)(C)O)c2cncc3c2cccc3 269862a_100121572536_100011951259 [0,1,0,0,0,1|1,0,0]=3 601 B21R3.7997519 CC(N[C@H]1C[C@@](C1)(C)O)c2nccc3c2cccc3 269862a_100121572536_100000742330 [0,1,0,0,0,1|1,0,0]=3 602 B21R3.7997519 C[C@H](NC1CC(C1)(F)F)c2cccc3c2cccc3 270004a_100011830313_100000144187 [0,1,0,0,0,1|2,0,0]=4 603 B21R3.15772 COCC1CC(C1)NC(C)c2coc3c2cccc3 269862a_100012180050_100000751042 [0,2,0,0,0,0|0,0,0]=2 604 B21R3.15772 COCC1CC(C1)NC(C)c2csc3c2cccc3 269862a_100012180050_100000689785 [0,2,0,0,0,0|0,1,0]=3 605 B21R3.15772 COCC1CC(C1)NC(C)c2n[nH]c3c2cccc3 269862a_100012180050_100000087549 [0,2,0,0,0,0|2,0,0]=4 606 B21R3.508329 CC(=O)N1CC(C1)NC(C)c2coc3c2cccc3 269862a_100102955437_100000751042 [0,2,0,0,0,0|1,0,1]=4 607 B21R3.1285993 CC(NC1CC(C1)CO)c2cnc3n2cc(cc3)Br 269862a_100000095622_100010260146 [0,2,0,0,0,0|2,0,0]=4 608 B21R3.1285993 CC(NC1CC(C1)CO)c2csc3c2cc(cc3)Br 269862a_100000095622_100010167055 [0,2,0,0,0,0|0,1,0]=3 609 B21R3.1285993 CC(NC1CC(C1)CO)c2n[nH]c3c2cc(cc3)Br 269862a_100000095622_100010178523 [0,2,0,0,0,0|2,0,0]=4 610 B21R3.1285993 CO[C@H]1C[C@@H](C1)NC(C)c2cnc3n2cc(cc3)Br 269862a_100121570643_100010260146 [0,2,0,0,0,0|2,0,0]=4 611 B21R3.1285993 CO[C@H]1C[C@@H](C1)NC(C)c2csc3c2cc(cc3)Br 269862a_100121570643_100010167055 [0,2,0,0,0,0|0,1,0]=3 612 B21R3.1285993 CO[C@H]1C[C@@H](C1)NC(C)c2n[nH]c3c2cc(cc3)Br 269862a_100121570643_100010178523 [0,2,0,0,0,0|2,0,0]=4 613 B21R3.28389215 CC(N[C@H]1C[C@@](C1)(C)O)c2cnc3n2cc(cc3)Br 269862a_100121572536_100010260146 [0,2,0,0,0,0|2,0,0]=4 614 B21R3.28389215 CC(N[C@H]1C[C@@](C1)(C)O)c2csc3c2cc(cc3)Br 269862a_100121572536_100010167055 [0,2,0,0,0,0|0,1,0]=3 615 B21R3.28389215 CC(N[C@H]1C[C@@](C1)(C)O)c2n[nH]c3c2cc(cc3)Br 269862a_100121572536_100010178523 [0,2,0,0,0,0|2,0,0]=4 616 B17R1.6551 COc1ccccc1CC(C)NCCC(C)O 270004a_200000755665_100000211486 [0,0,2,0,0,0|0,0,2]=4 617 B17R1.9010 CC(O)CCNC(C)C(=O)c1ccccc1Cl 2230a_200000755665_100010255250 [0,0,2,0,0,0|2,0,0]=4 618 B17R1.21356 CC(N[C@H](C)CCO)C(=O)c1ccccc1Cl 2230a_100000706166_100010255250 [0,0,2,0,0,0|2,0,0]=4 619 B17R1.21825 COc1ccccc1CC(C)N[C@H](C)CCO 270004a_100000706166_100000211486 [0,0,2,0,0,0|0,0,2]=4 620 B19R3.48683 CC(NCCC1CC1)c2coc3c2cccc3 269862a_100000764129_100000751042 [0,0,1,1,0,0|1,0,0]=3 621 B19R3.48683 CC(NCCC1CC1)c2csc3c2cccc3 269862a_100000764129_100000689785 [0,0,1,1,0,0|1,1,0]=4 622 B19R3.10818 CC(NC1CC=CC1)c2coc3c2cccc3 269862a_100015188752_100000751042 [0,0,1,1,0,0|1,0,1]=4 623 B19R3.10818 CC(NC1CCCC1)c2coc3c2cccc3 269862a_100000211070_100000751042 [0,0,1,1,0,0|1,0,0]=3 624 B19R3.10818 CC(NC1CCCC1)c2csc3c2cccc3 269862a_100000211070_100000689785 [0,0,1,1,0,0|1,1,0]=4 625 B19R3.10818 CC(N[C@@H]1CCOC1)c2coc3c2cccc3 269862a_200015188469_100000751042 [0,0,1,1,0,0|0,0,0]=2 626 B19R3.10818 CC(N[C@@H]1CCOC1)c2csc3c2cccc3 269862a_200015188469_100000689785 [0,0,1,1,0,0|0,1,0]=3 627 B19R3.10818 CC(N[C@@H]1CCOC1)c2n[nH]c3c2cccc3 269862a_200015188469_100000087549 [0,0,1,1,0,0|2,0,0]=4 628 B19R3.10818 CC(N[C@H]1CCOC1)c2coc3c2cccc3 269862a_100015188467_100000751042 [0,0,1,1,0,0|0,0,0]=2 629 B19R3.10818 CC(N[C@H]1CCOC1)c2csc3c2cccc3 269862a_100015188467_100000689785 [0,0,1,1,0,0|0,1,0]=3 630 B19R3.10818 CC(N[C@H]1CCOC1)c2n[nH]c3c2cccc3 269862a_100015188467_100000087549 [0,0,1,1,0,0|2,0,0]=4 631 B19R3.1776211 CC(NC(C)C1CC1)c2coc3c2cccc3 269862a_100000700016_100000751042 [0,0,1,1,0,0|1,0,0]=3 632 B19R3.1776211 CC(NC(C)C1CC1)c2csc3c2cccc3 269862a_100000700016_100000689785 [0,0,1,1,0,0|1,1,0]=4 633 B19R3.91853 O=C1c2ccccc2CCC1N[C@H]3C[C@@H](C3)O 2230a_100020629032_100000229917 [0,0,1,1,0,0|2,0,0]=4 634 B19R3.2481792 CC(N[C@H]1C[C@@H](C1)O)c2cc3ccccc3[nH]2 269862a_100020629032_100000696822 [0,0,1,1,0,0|2,0,0]=4 635 B19R3.2481792 CC(N[C@H]1C[C@@H](C1)O)c2cc3ccccc3o2 269862a_100020629032_100000185295 [0,0,1,1,0,0|2,0,0]=4 636 B19R3.2481792 CC(N[C@H]1C[C@@H](C1)O)c2cc3ccccc3s2 269862a_100020629032_100011216072 [0,0,1,1,0,0|2,0,0]=4 637 B19R3.2481792 CC(N[C@H]1C[C@@H](C1)O)c2cc3ccccn3c2 269862a_100020629032_200000069729 [0,0,1,1,0,0|1,0,0]=3 638 B19R3.91936 CC(N[C@H]1C[C@@H](C1)O)c2ccc3[nH]ccc3c2 269862a_100020629032_100000035473 [0,0,1,1,0,0|2,0,0]=4 639 B19R3.91936 CC(N[C@H]1C[C@@H](C1)O)c2ccc3cc[nH]c3c2 269862a_100020629032_200000045062 [0,0,1,1,0,0|2,0,0]=4 640 B19R3.91936 CC(N[C@H]1C[C@@H](C1)O)c2ccc3nccn3c2 269862a_100020629032_100000099403 [0,0,1,1,0,0|2,0,0]=4 641 B19R3.2481790 CC(N[C@H]1C[C@@H](C1)O)c2cccc3c2OCC3 269862a_100020629032_100012186135 [0,0,1,1,0,0|0,0,2]=4 642 B19R3.2481790 CC(N[C@H]1C[C@@H](C1)O)c2cccc3c2[nH]nc3 269862a_100020629032_100009882832 [0,0,1,1,0,0|2,0,0]=4 643 B19R3.2481790 O=C(N[C@H]1C[C@@H](C1)O)c2cccc3c2occ3 11a_100020629032_100000098497 [0,0,1,1,0,0|1,0,1]=4 644 B19R3.2481790 O=C(N[C@H]1C[C@@H](C1)O)c2cccc3c2occ3 1626a_100020629032_100000098497 [0,0,1,1,0,0|1,0,1]=4 645 B19R3.2481790 O=C(N[C@H]1C[C@@H](C1)O)c2cccc3c2occ3 240690a_100020629032_100000098497 [0,0,1,1,0,0|1,0,1]=4 646 B19R3.2481790 O=C(N[C@H]1C[C@@H](C1)O)c2cccc3c2occ3 527a_100020629032_100000098497 [0,0,1,1,0,0|1,0,1]=4 647 B19R4.23758 c1ccc2c(coc2c1)CNC34CC(C3)C4 207a_100016993715_100000688544 [1,0,0,1,0,0|1,0,0]=3 648 B19R4.23758 c1ccc2c(coc2c1)CNC34CC(C3)C4 270004a_100016993715_100000688544 [1,0,0,1,0,0|1,0,0]=3 649 B19R4.23758 c1ccc2c(csc2c1)CNC34CC(C3)C4 207a_100016993715_100000239721 [1,0,0,1,0,0|1,1,0]=4 650 B19R4.23758 c1ccc2c(csc2c1)CNC34CC(C3)C4 270004a_100016993715_100000239721 [1,0,0,1,0,0|1,1,0]=4 651 B21R4.8507293 CC(=NNC12CC(C1)C2)c3coc4c3cccc4 4a_100011015844_100000751042 [0,0,0,1,0,1|1,0,1]=4 652 B21R4.2325282 CC(Cc1c[nH]c2c1cccc2)NC34CC(C3)C4 270004a_100016993715_100000030300 [0,0,0,1,0,1|2,0,0]=4 653 B21R4.6737959 OC1CC2(C1)CN(C2)Cc3coc4c3cccc4 270004a_100016990924_100000688544 [0,0,0,1,0,1|2,0,0]=4 654 B21R4.50792445 CC(NC12CC(C1)C2)c3ccc4ccccc4c3 269862a_100016993715_100000210793 [0,0,0,1,0,1|2,0,0]=4 655 B21R4.50792445 CC(NC12CC(C1)C2)c3ccc4ccccc4n3 269862a_100016993715_100000684817 [0,0,0,1,0,1|2,0,0]=4 656 B21R4.50792445 CC(NC12CC(C1)C2)c3cnc4ccccc4c3 269862a_100016993715_100011376191 [0,0,0,1,0,1|2,0,0]=4 657 B21R4.50792445 CC(NC12CC(C1)C2)c3cnc4ccccc4n3 269862a_100016993715_100011830413 [0,0,0,1,0,1|2,0,0]=4 658 B21R4.50798806 CC(NC12CC(C1)C2)c3cccc4c3cccc4 269862a_100016993715_100000210126 [0,0,0,1,0,1|2,0,0]=4 659 B21R4.50798806 CC(NC12CC(C1)C2)c3cncc4c3cccc4 269862a_100016993715_100011951259 [0,0,0,1,0,1|2,0,0]=4 660 B21R4.50798806 CC(NC12CC(C1)C2)c3nccc4c3cccc4 269862a_100016993715_100000742330 [0,0,0,1,0,1|2,0,0]=4 661 B21R4.30622575 CC(NC12CC(C1)C2)c3csc4c3cc(cc4)Br 269862a_100016993715_100010167055 [0,1,0,1,0,0|1,1,0]=4 662 B17R2.877 CC(C)CNC(C)c1coc2c1cccc2 269862a_100000210953_100000751042 [0,0,1,0,1,0|1,0,0]=3 663 B17R2.877 CC(C)CNC(C)c1csc2c1cccc2 269862a_100000210953_100000689785 [0,0,1,0,1,0|1,1,0]=4 664 B17R2.877 CC(O)CNC(C)c1coc2c1cccc2 269862a_100000210904_100000751042 [0,0,1,0,1,0|0,0,0]=2 665 B17R2.877 CC(O)CNC(C)c1csc2c1cccc2 269862a_100000210904_100000689785 [0,0,1,0,1,0|0,1,0]=3 666 B17R2.877 CC(O)CNC(C)c1n[nH]c2c1cccc2 269862a_100000210904_100000087549 [0,0,1,0,1,0|2,0,0]=4 667 B17R2.12561 COc1ccccc1C(C)N[C@H]2C[C@@H](C2)O 269862a_100020629032_100000173324 [0,0,1,0,1,0|0,0,1]=3 668 B17R2.12561 COc1cccnc1C(C)N[C@H]2C[C@@H](C2)O 269862a_100020629032_100012185210 [0,0,1,0,1,0|1,0,1]=4 669 B17R2.12561 COc1ncccc1C(C)N[C@H]2C[C@@H](C2)O 269862a_100020629032_100012184464 [0,0,1,0,1,0|1,0,1]=4 670 B17R2.5233 CC(CCc1ccccc1)N[C@H]2C[C@@H](C2)O 270004a_100020629032_100000210092 [0,0,1,0,1,0|0,0,2]=4 671 B17R2.5233 CC(COc1ccccc1)NC2CC(C2)F 270004a_100016993743_100000150576 [0,0,1,0,1,0|1,0,1]=4 672 B17R2.5233 CC(COc1ccccc1)N[C@H]2C[C@@H](C2)O 270004a_100020629032_100000150576 [0,0,1,0,1,0|0,0,1]=3 673 B17R2.5233 CC(CSc1ccccc1)N[C@H]2C[C@@H](C2)O 270004a_100020629032_100000150717 [0,0,1,0,1,0|0,1,1]=4 674 B17R2.5233 O=C(C=Cc1ccccc1)N[C@H]2C[C@@H](C2)O 11a_100020629032_100000210462 [0,0,1,0,1,0|1,0,1]=4 675 B17R2.5233 O=C(C=Cc1ccccc1)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100000210462 [0,0,1,0,1,0|1,0,1]=4 676 B17R3.117 F[C@@H]1C[C@H]1NCc2csc3c2cccc3 2230a_100025746932_200000742921 [1,0,0,0,1,0|1,1,0]=4 677 B17R3.117 F[C@@H]1C[C@H]1NCc2csc3c2cccc3 34a_100025746932_200000742921 [1,0,0,0,1,0|1,1,0]=4 678 B17R3.117 F[C@@H]1C[C@H]1NCc2noc3c2cccc3 34a_100025746932_100009813815 [1,0,0,0,1,0|2,0,0]=4 679 B17R3.117 F[C@H]1C[C@H]1NCc2csc3c2cccc3 2230a_100015190264_200000742921 [1,0,0,0,1,0|1,1,0]=4 680 B17R3.3334 CC1CN(C1)Cc2coc3c2cccc3 270004a_100000702820_100000688544 [1,0,0,0,1,0|2,0,0]=4 681 B17R3.3334 FC1CN(C1)Cc2coc3c2cccc3 270004a_100000690557_100000688544 [1,0,0,0,1,0|2,0,0]=4 682 B17R3.3334 OC1CN(C1)Cc2csc3c2cccc3 269982a_100000749847_200000742921 [1,0,0,0,1,0|1,1,0]=4 683 B19R2.197 CC(C)CCNC(C)Cc1c[nH]c2c1cccc2 270004a_100000210545_100000030300 [0,0,1,0,0,1|2,0,0]=4 684 B19R2.197 CC(O)CCNC(=O)Cc1coc2c1cccc2 240690a_200000755665_100000217546 [0,0,1,0,0,1|1,0,1]=4 685 B19R2.197 CC(O)CCNC(=O)Cc1coc2c1cccc2 527a_200000755665_100000217546 [0,0,1,0,0,1|1,0,1]=4 686 B19R2.197 CC(O)CCNC(C)Cc1c[nH]c2c1cccc2 270004a_200000755665_100000030300 [0,0,1,0,0,1|1,0,0]=3 687 B19R2.8748 CC(=O)NCCNC(C)c1coc2c1cccc2 269862a_100000209853_100000751042 [0,0,1,0,0,1|0,0,2]=4 688 B19R2.8748 CC(=O)SCCNC(C)c1coc2c1cccc2 269862a_100020647217_100000751042 [0,0,1,0,0,1|0,0,2]=4 689 B19R2.8748 CC(C)CCCNC(C)c1coc2c1cccc2 269862a_200000737386_100000751042 [0,0,1,0,0,1|1,0,0]=3 690 B19R2.8748 CC(C)CCCNC(C)c1csc2c1cccc2 269862a_200000737386_100000689785 [0,0,1,0,0,1|1,1,0]=4 691 B19R2.8748 CC(C)OCCNC(C)c1coc2c1cccc2 269862a_100000701111_100000751042 [0,0,1,0,0,1|1,0,0]=3 692 B19R2.8748 CC(C)OCCNC(C)c1csc2c1cccc2 269862a_100000701111_100000689785 [0,0,1,0,0,1|1,1,0]=4 693 B19R2.8748 CC(C)SCCNC(C)c1coc2c1cccc2 269862a_100000731138_100000751042 [0,0,1,0,0,1|1,0,0]=3 694 B19R2.8748 CC(C)SCCNC(C)c1csc2c1cccc2 269862a_100000731138_100000689785 [0,0,1,0,0,1|1,1,0]=4 695 B19R2.8748 CC(NCCCN(C)C)c1coc2c1cccc2 269862a_102531767803_100000751042 [0,0,1,0,0,1|2,0,0]=4 696 B19R2.112185 CC(C)CCNC(C)c1ccc2ccccc2c1 2230a_100000737073_100000210312 [0,0,1,0,0,1|2,0,0]=4 697 B19R2.112185 CC(C)CCNC(C)c1ccc2ccccc2c1 269862a_100000210545_100000210793 [0,0,1,0,0,1|2,0,0]=4 698 B19R2.112185 CC(C)CCNC(C)c1ccc2ccccc2c1 269862a_100000737073_100000185833 [0,0,1,0,0,1|2,0,0]=4 699 B19R2.112185 CC(C)CCNC(C)c1ccc2ccccc2n1 269862a_100000210545_100000684817 [0,0,1,0,0,1|2,0,0]=4 700 B19R2.112185 CC(C)CCNC(C)c1cnc2ccccc2c1 269862a_100000210545_100011376191 [0,0,1,0,0,1|2,0,0]=4 701 B19R2.112185 CC(C)CCNC(C)c1cnc2ccccc2n1 269862a_100000210545_100011830413 [0,0,1,0,0,1|2,0,0]=4 702 B19R2.112185 CC(O)CCNC(C)C1COc2ccccc2O1 2230a_100015185755_100012276601 [0,0,1,0,0,1|0,0,2]=4 703 B19R2.112185 CC(O)CCNC(C)C1COc2ccccc2O1 270004a_200000755665_100011934066 [0,0,1,0,0,1|0,0,2]=4 704 B19R2.112185 CC(O)CCNC(C)C1COc2ccccc2O1 34a_100015185755_100012276601 [0,0,1,0,0,1|0,0,2]=4 705 B19R2.112185 CC(O)CCNC(C)c1cc2ccccc2cn1 269862a_200000755665_200000084103 [0,0,1,0,0,1|2,0,0]=4 706 B19R2.112185 CC(O)CCNC(C)c1ccc2ccccc2c1 2230a_100000737073_100012276601 [0,0,1,0,0,1|1,0,0]=3 707 B19R2.112185 CC(O)CCNC(C)c1ccc2ccccc2c1 269862a_200000755665_100000210793 [0,0,1,0,0,1|1,0,0]=3 708 B19R2.112185 CC(O)CCNC(C)c1ccc2ccccc2n1 269862a_200000755665_100000684817 [0,0,1,0,0,1|1,0,0]=3 709 B19R2.112185 CC(O)CCNC(C)c1ccc2ncccc2c1 269862a_200000755665_100011286481 [0,0,1,0,0,1|2,0,0]=4 710 B19R2.112185 CC(O)CCNC(C)c1cnc2ccccc2c1 269862a_200000755665_100011376191 [0,0,1,0,0,1|1,0,0]=3 711 B19R2.112185 CC(O)CCNC(C)c1cnc2ccccc2n1 269862a_200000755665_100011830413 [0,0,1,0,0,1|1,0,0]=3 712 B19R2.112185 CC(O)CCOC(C)c1ccc2ccccc2c1 34a_100011215343_100012276601 [0,0,1,0,0,1|2,0,0]=4 713 B19R2.112185 CC(O)CCOC(C)c1ccc2ccccc2c1 7a_100011215343_100012276601 [0,0,1,0,0,1|2,0,0]=4 714 B19R2.6045422 CC(C)CCNC(C)c1cccc2c1cccc2 269862a_100000210545_100000210126 [0,0,1,0,0,1|2,0,0]=4 715 B19R2.6045422 CC(C)CCNC(C)c1cncc2c1cccc2 269862a_100000210545_100011951259 [0,0,1,0,0,1|2,0,0]=4 716 B19R2.6045422 CC(C)CCNC(C)c1nccc2c1cccc2 269862a_100000210545_100000742330 [0,0,1,0,0,1|2,0,0]=4 717 B19R2.6045422 CC(C)CCN[C@@H](C)c1cccc2c1cccc2 2230a_100011830313_100000210312 [0,0,1,0,0,1|2,0,0]=4 718 B19R2.6045422 CC(C)CCN[C@@H](C)c1cccc2c1cccc2 269862a_100011830313_100000185833 [0,0,1,0,0,1|2,0,0]=4 719 B19R2.6045422 CC(O)CCNC(C)c1cccc2c1cccc2 269862a_200000755665_100000210126 [0,0,1,0,0,1|1,0,0]=3 720 B19R2.6045422 CC(O)CCNC(C)c1cccc2c1nccc2 269862a_200000755665_100011995788 [0,0,1,0,0,1|2,0,0]=4 721 B19R2.6045422 CC(O)CCNC(C)c1cncc2c1cccc2 269862a_200000755665_100011951259 [0,0,1,0,0,1|1,0,0]=3 722 B19R2.6045422 CC(O)CCNC(C)c1nccc2c1cccc2 269862a_200000755665_100000742330 [0,0,1,0,0,1|1,0,0]=3 723 B19R2.6045422 CC(O)CCN[C@@H](C)c1cccc2c1cccc2 2230a_100011830313_100012276601 [0,0,1,0,0,1|1,0,0]=3 724 B19R2.6045422 CC(O)CCO[C@@H](C)c1cccc2c1cccc2 34a_100011852130_100012276601 [0,0,1,0,0,1|2,0,0]=4 725 B19R2.6045422 CC(O)CCO[C@@H](C)c1cccc2c1cccc2 7a_100011852130_100012276601 [0,0,1,0,0,1|2,0,0]=4 726 B19R2.3 CC(Cc1c[nH]c2c1cccc2)N[C@H](C)CCO 270004a_100000706166_100000030300 [0,0,1,0,0,1|1,0,0]=3 727 B19R2.3 CCCC(C)NC(C)Cc1c[nH]c2c1cccc2 270004a_100000741246_100000030300 [0,0,1,0,0,1|2,0,0]=4 728 B19R2.3 C[C@H](CCO)NC(=O)Cc1coc2c1cccc2 240690a_100000706166_100000217546 [0,0,1,0,0,1|1,0,1]=4 729 B19R2.3 C[C@H](CCO)NC(=O)Cc1coc2c1cccc2 527a_100000706166_100000217546 [0,0,1,0,0,1|1,0,1]=4 730 B19R2.18286 CC(CCO)NC(C)C1COc2ccccc2O1 2230a_100015185755_100009893172 [0,0,1,0,0,1|0,0,2]=4 731 B19R2.18286 CC(CCO)NC(C)C1COc2ccccc2O1 34a_100015185755_100009893172 [0,0,1,0,0,1|0,0,2]=4 732 B19R2.18286 CC(CCO)NC(C)c1ccc2ccccc2c1 2230a_100000737073_100009893172 [0,0,1,0,0,1|1,0,0]=3 733 B19R2.18286 CC(CCO)OC(C)c1ccc2ccccc2c1 34a_100011215343_100009893172 [0,0,1,0,0,1|2,0,0]=4 734 B19R2.18286 CC(CCO)OC(C)c1ccc2ccccc2c1 7a_100011215343_100009893172 [0,0,1,0,0,1|2,0,0]=4 735 B19R2.18286 CC(N[C@H](C)CCO)C1COc2ccccc2O1 270004a_100000706166_100011934066 [0,0,1,0,0,1|0,0,2]=4 736 B19R2.18286 CC(N[C@H](C)CCO)c1cc2ccccc2cn1 269862a_100000706166_200000084103 [0,0,1,0,0,1|2,0,0]=4 737 B19R2.18286 CC(N[C@H](C)CCO)c1ccc2ccccc2c1 269862a_100000706166_100000210793 [0,0,1,0,0,1|1,0,0]=3 738 B19R2.18286 CC(N[C@H](C)CCO)c1ccc2ccccc2n1 269862a_100000706166_100000684817 [0,0,1,0,0,1|1,0,0]=3 739 B19R2.18286 CC(N[C@H](C)CCO)c1ccc2ncccc2c1 269862a_100000706166_100011286481 [0,0,1,0,0,1|2,0,0]=4 740 B19R2.18286 CC(N[C@H](C)CCO)c1cnc2ccccc2c1 269862a_100000706166_100011376191 [0,0,1,0,0,1|1,0,0]=3 741 B19R2.18286 CC(N[C@H](C)CCO)c1cnc2ccccc2n1 269862a_100000706166_100011830413 [0,0,1,0,0,1|1,0,0]=3 742 B19R2.18286 CCCC(C)NC(C)c1ccc2ccccc2c1 2230a_100000737073_100000766640 [0,0,1,0,0,1|2,0,0]=4 743 B19R2.18286 CCCC(C)NC(C)c1ccc2ccccc2c1 269862a_100000741246_100000210793 [0,0,1,0,0,1|2,0,0]=4 744 B19R2.18286 CCCC(C)NC(C)c1ccc2ccccc2c1 270004a_100000737073_100000211909 [0,0,1,0,0,1|2,0,0]=4 745 B19R2.18286 CCCC(C)NC(C)c1ccc2ccccc2n1 269862a_100000741246_100000684817 [0,0,1,0,0,1|2,0,0]=4 746 B19R2.18286 CCCC(C)NC(C)c1cnc2ccccc2c1 269862a_100000741246_100011376191 [0,0,1,0,0,1|2,0,0]=4 747 B19R2.18286 CCCC(C)NC(C)c1cnc2ccccc2n1 269862a_100000741246_100011830413 [0,0,1,0,0,1|2,0,0]=4 748 B19R2.3375039 CC(CCO)N[C@@H](C)c1cccc2c1cccc2 2230a_100011830313_100009893172 [0,0,1,0,0,1|1,0,0]=3 749 B19R2.3375039 CC(CCO)O[C@@H](C)c1cccc2c1cccc2 34a_100011852130_100009893172 [0,0,1,0,0,1|2,0,0]=4 750 B19R2.3375039 CC(CCO)O[C@@H](C)c1cccc2c1cccc2 7a_100011852130_100009893172 [0,0,1,0,0,1|2,0,0]=4 751 B19R2.3375039 CC(N[C@H](C)CCO)c1cccc2c1cccc2 269862a_100000706166_100000210126 [0,0,1,0,0,1|1,0,0]=3 752 B19R2.3375039 CC(N[C@H](C)CCO)c1cccc2c1nccc2 269862a_100000706166_100011995788 [0,0,1,0,0,1|2,0,0]=4 753 B19R2.3375039 CC(N[C@H](C)CCO)c1cncc2c1cccc2 269862a_100000706166_100011951259 [0,0,1,0,0,1|1,0,0]=3 754 B19R2.3375039 CC(N[C@H](C)CCO)c1nccc2c1cccc2 269862a_100000706166_100000742330 [0,0,1,0,0,1|1,0,0]=3 755 B19R2.3375039 CCCC(C)NC(C)c1cccc2c1cccc2 269862a_100000741246_100000210126 [0,0,1,0,0,1|2,0,0]=4 756 B19R2.3375039 CCCC(C)NC(C)c1cncc2c1cccc2 269862a_100000741246_100011951259 [0,0,1,0,0,1|2,0,0]=4 757 B19R2.3375039 CCCC(C)NC(C)c1nccc2c1cccc2 269862a_100000741246_100000742330 [0,0,1,0,0,1|2,0,0]=4 758 B19R2.3375039 CCCC(C)N[C@@H](C)c1cccc2c1cccc2 2230a_100011830313_100000766640 [0,0,1,0,0,1|2,0,0]=4 759 B19R2.3375039 CCCC(C)N[C@@H](C)c1cccc2c1cccc2 270004a_100011830313_100000211909 [0,0,1,0,0,1|2,0,0]=4 760 B19R2.3401 COc1ccccc1CC(C)N[C@H]2CC[C@H](C2)O 270004a_100015195300_100000211486 [0,0,1,0,0,1|0,0,2]=4 761 B19R2.183701 COc1ccccc1CC(C)NCC2CC(C2)O 270004a_100016992100_100000211486 [0,0,1,0,0,1|0,0,2]=4 762 B19R2.45272 CC(N[C@H]1CC[C@H](C1)O)C(=O)c2ccccc2Cl 2230a_100015195300_100010255250 [0,0,1,0,0,1|2,0,0]=4 763 B19R2.62453 CC(N[C@H]1C[C@@H](C1)O)C(=O)Nc2ccccc2Br 2230a_100020629032_100000735908 [0,0,1,0,0,1|2,0,0]=4 764 B19R2.62453 CC(N[C@H]1C[C@@H](C1)O)C(=O)Nc2ccccc2Cl 2230a_100020629032_100000230270 [0,0,1,0,0,1|2,0,0]=4 765 B19R2.62453 CC(N[C@H]1C[C@@H](C1)O)C(=O)Nc2ccccc2F 2230a_100020629032_100000183841 [0,0,1,0,0,1|2,0,0]=4 766 B19R2.62453 CC(N[C@H]1C[C@@H](C1)O)C(=O)Nc2ccccc2I 2230a_100020629032_100000735912 [0,0,1,0,0,1|2,0,0]=4 767 B19R2.62453 Cc1ccccc1NC(=O)C(C)N[C@H]2C[C@@H](C2)O 2230a_100020629032_100000181170 [0,0,1,0,0,1|2,0,0]=4 768 B19R2.502631 CC(NCC1CC(C1)O)C(=O)c2ccccc2Cl 2230a_100016992100_100010255250 [0,0,1,0,0,1|2,0,0]=4 769 B19R2.100544 CC(CCOCc1ccccc1)N[C@H]2C[C@@H](C2)O 270004a_100020629032_100011219826 [0,0,1,0,0,1|0,0,2]=4 770 B19R3.3759 CC1CCC(C1)NCc2c[nH]c3c2cccc3 270004a_100015202335_100011215218 [1,0,0,0,0,1|2,0,0]=4 771 B19R3.3759 CC1CCC(C1)NCc2csc3c2cccc3 270004a_100000744611_100011215218 [1,0,0,0,0,1|1,1,0]=4 772 B19R3.3759 CN1CCC(C1)NCc2coc3c2cccc3 207a_100000744687_100000688544 [1,0,0,0,0,1|2,0,0]=4 773 B19R3.3759 CN1CCC(C1)NCc2coc3c2cccc3 270004a_100000744687_100000688544 [1,0,0,0,0,1|2,0,0]=4 774 B19R3.3759 O=C1CC(CN1)NCc2coc3c2cccc3 207a_100000697751_100000688544 [1,0,0,0,0,1|0,0,2]=4 775 B19R3.3759 OC1CCC(C1)NCc2[nH]nc3c2cccc3 270004a_100011642502_100012614533 [1,0,0,0,0,1|2,0,0]=4 776 B19R3.3759 OC1CCC(C1)NCc2c[nH]c3c2cccc3 270004a_100015202335_100012614533 [1,0,0,0,0,1|1,0,0]=3 777 B19R3.3759 OC1CCC(C1)NCc2cnc3n2cccc3 270004a_100015187830_100012614533 [1,0,0,0,0,1|2,0,0]=4 778 B19R3.3759 OC1CCC(C1)NCc2csc3c2cccc3 270004a_100000744611_100012614533 [1,0,0,0,0,1|0,1,0]=3 779 B19R3.3759 O[C@@H]1CC[C@@H](C1)NCc2c[nH]c3c2ccnc3 270004a_100015195300_100000087688 [1,0,0,0,0,1|2,0,0]=4 780 B19R3.3759 O[C@@H]1CC[C@@H](C1)NCc2cnc3n2cccc3 207a_100015195300_100000052358 [1,0,0,0,0,1|2,0,0]=4 781 B19R3.3759 O[C@@H]1CC[C@@H](C1)NCc2cnc3n2cccc3 270004a_100015195300_100000052358 [1,0,0,0,0,1|2,0,0]=4 782 B19R3.3759 O[C@@H]1CC[C@@H](C1)NCc2cnn3c2cccc3 207a_100015195300_100011787723 [1,0,0,0,0,1|2,0,0]=4 783 B19R3.3759 O[C@@H]1CC[C@@H](C1)NCc2cnn3c2cccc3 270004a_100015195300_100011787723 [1,0,0,0,0,1|2,0,0]=4 784 B19R3.3759 O[C@@H]1CC[C@@H](C1)NCc2coc3c2cccc3 207a_100015195300_100000688544 [1,0,0,0,0,1|0,0,0]=2 785 B19R3.3759 O[C@@H]1CC[C@@H](C1)NCc2coc3c2cccc3 270004a_100015195300_100000688544 [1,0,0,0,0,1|0,0,0]=2 786 B19R3.3759 O[C@@H]1CC[C@@H](C1)NCc2csc3c2cccc3 207a_100015195300_100000239721 [1,0,0,0,0,1|0,1,0]=3 787 B19R3.3759 O[C@@H]1CC[C@@H](C1)NCc2csc3c2cccc3 2230a_100015195300_200000742921 [1,0,0,0,0,1|0,1,0]=3 788 B19R3.3759 O[C@@H]1CC[C@@H](C1)NCc2csc3c2cccc3 270004a_100015195300_100000239721 [1,0,0,0,0,1|0,1,0]=3 789 B19R3.3759 O[C@@H]1CC[C@@H](C1)NCc2n[nH]c3c2cccc3 207a_100015195300_100000059708 [1,0,0,0,0,1|2,0,0]=4 790 B19R3.3759 O[C@@H]1CC[C@@H](C1)NCc2n[nH]c3c2cccc3 270004a_100015195300_100000059708 [1,0,0,0,0,1|2,0,0]=4 791 B19R3.5939 FC1CC(C1)NCc2cccc3c2cccc3 207a_100016993743_100000210074 [1,0,0,0,0,1|2,0,0]=4 792 B19R3.5939 FC1CC(C1)NCc2cccc3c2cccc3 2230a_100016993743_100011261445 [1,0,0,0,0,1|2,0,0]=4 793 B19R3.5939 FC1CC(C1)NCc2cccc3c2cccc3 270004a_100016993743_100000210074 [1,0,0,0,0,1|2,0,0]=4 794 B19R3.5939 FC1CC(C1)NCc2ccnc3c2cccc3 2230a_100016993743_100015192512 [1,0,0,0,0,1|2,0,0]=4 795 B19R3.5939 FC1CC(C1)NCc2cncc3c2cccc3 207a_100016993743_100000684730 [1,0,0,0,0,1|2,0,0]=4 796 B19R3.5939 FC1CC(C1)NCc2cncc3c2cccc3 270004a_100016993743_100000684730 [1,0,0,0,0,1|2,0,0]=4 797 B19R3.5939 FC1CC(C1)NCc2nccc3c2cccc3 207a_100016993743_100011361464 [1,0,0,0,0,1|2,0,0]=4 798 B19R3.5939 FC1CC(C1)NCc2nccc3c2cccc3 2230a_100016993743_100000033776 [1,0,0,0,0,1|2,0,0]=4 799 B19R3.5939 FC1CC(C1)NCc2nccc3c2cccc3 270004a_100016993743_100011361464 [1,0,0,0,0,1|2,0,0]=4 800 B19R3.5939 O[C@H]1C[C@@H](C1)NCc2cccc3c2cccc3 207a_100020629032_100000210074 [1,0,0,0,0,1|1,0,0]=3 801 B19R3.5939 O[C@H]1C[C@@H](C1)NCc2cccc3c2cccc3 2230a_100020629032_100011261445 [1,0,0,0,0,1|1,0,0]=3 802 B19R3.5939 O[C@H]1C[C@@H](C1)NCc2cccc3c2cccc3 270004a_100020629032_100000210074 [1,0,0,0,0,1|1,0,0]=3 803 B19R3.5939 O[C@H]1C[C@@H](C1)NCc2cccc3c2cccn3 207a_100020629032_100000708479 [1,0,0,0,0,1|2,0,0]=4 804 B19R3.5939 O[C@H]1C[C@@H](C1)NCc2cccc3c2cccn3 270004a_100020629032_100000708479 [1,0,0,0,0,1|2,0,0]=4 805 B19R3.5939 O[C@H]1C[C@@H](C1)NCc2cccc3c2ccnc3 207a_100020629032_100000750165 [1,0,0,0,0,1|2,0,0]=4 806 B19R3.5939 O[C@H]1C[C@@H](C1)NCc2cccc3c2ccnc3 2230a_100020629032_100016989825 [1,0,0,0,0,1|2,0,0]=4 807 B19R3.5939 O[C@H]1C[C@@H](C1)NCc2cccc3c2ccnc3 270004a_100020629032_100000750165 [1,0,0,0,0,1|2,0,0]=4 808 B19R3.5939 O[C@H]1C[C@@H](C1)NCc2cccc3c2cncc3 207a_100020629032_100011934574 [1,0,0,0,0,1|2,0,0]=4 809 B19R3.5939 O[C@H]1C[C@@H](C1)NCc2cccc3c2cncc3 270004a_100020629032_100011934574 [1,0,0,0,0,1|2,0,0]=4 810 B19R3.5939 O[C@H]1C[C@@H](C1)NCc2cccc3c2nccc3 207a_100020629032_100000239888 [1,0,0,0,0,1|2,0,0]=4 811 B19R3.5939 O[C@H]1C[C@@H](C1)NCc2cccc3c2nccc3 2230a_100020629032_100000241032 [1,0,0,0,0,1|2,0,0]=4 812 B19R3.5939 O[C@H]1C[C@@H](C1)NCc2cccc3c2nccc3 270004a_100020629032_100000239888 [1,0,0,0,0,1|2,0,0]=4 813 B19R3.5939 O[C@H]1C[C@@H](C1)NCc2ccnc3c2cccc3 2230a_100020629032_100015192512 [1,0,0,0,0,1|1,0,0]=3 814 B19R3.5939 O[C@H]1C[C@@H](C1)NCc2cncc3c2cccc3 207a_100020629032_100000684730 [1,0,0,0,0,1|1,0,0]=3 815 B19R3.5939 O[C@H]1C[C@@H](C1)NCc2cncc3c2cccc3 270004a_100020629032_100000684730 [1,0,0,0,0,1|1,0,0]=3 816 B19R3.5939 O[C@H]1C[C@@H](C1)NCc2nccc3c2cccc3 207a_100020629032_100011361464 [1,0,0,0,0,1|1,0,0]=3 817 B19R3.5939 O[C@H]1C[C@@H](C1)NCc2nccc3c2cccc3 2230a_100020629032_100000033776 [1,0,0,0,0,1|1,0,0]=3 818 B19R3.5939 O[C@H]1C[C@@H](C1)NCc2nccc3c2cccc3 270004a_100020629032_100011361464 [1,0,0,0,0,1|1,0,0]=3 819 B19R3.5948 C=C1CC(C1)CNCc2coc3c2cccc3 207a_100102567296_100000688544 [1,0,0,0,0,1|1,0,1]=4 820 B19R3.5948 C=C1CC(C1)CNCc2coc3c2cccc3 270004a_100102567296_100000688544 [1,0,0,0,0,1|1,0,1]=4 821 B19R3.5948 CN1CC(C1)CNCc2coc3c2cccc3 270004a_100000723568_100000688544 [1,0,0,0,0,1|2,0,0]=4 822 B19R3.5948 FC1CC(C1)NCCc2c[nH]c3c2cccc3 2230a_100016993743_100011218569 [1,0,0,0,0,1|2,0,0]=4 823 B19R3.5948 OC1CC(C1)CNCc2c[nH]c3c2ccnc3 270004a_100016992100_100000087688 [1,0,0,0,0,1|2,0,0]=4 824 B19R3.5948 OC1CC(C1)CNCc2cnc3n2cccc3 207a_100016992100_100000052358 [1,0,0,0,0,1|2,0,0]=4 825 B19R3.5948 OC1CC(C1)CNCc2cnc3n2cccc3 270004a_100016992100_100000052358 [1,0,0,0,0,1|2,0,0]=4 826 B19R3.5948 OC1CC(C1)CNCc2cnn3c2cccc3 207a_100016992100_100011787723 [1,0,0,0,0,1|2,0,0]=4 827 B19R3.5948 OC1CC(C1)CNCc2cnn3c2cccc3 270004a_100016992100_100011787723 [1,0,0,0,0,1|2,0,0]=4 828 B19R3.5948 OC1CC(C1)CNCc2coc3c2cccc3 207a_100016992100_100000688544 [1,0,0,0,0,1|0,0,0]=2 829 B19R3.5948 OC1CC(C1)CNCc2coc3c2cccc3 270004a_100016992100_100000688544 [1,0,0,0,0,1|0,0,0]=2 830 B19R3.5948 OC1CC(C1)CNCc2csc3c2cccc3 207a_100016992100_100000239721 [1,0,0,0,0,1|0,1,0]=3 831 B19R3.5948 OC1CC(C1)CNCc2csc3c2cccc3 2230a_100016992100_200000742921 [1,0,0,0,0,1|0,1,0]=3 832 B19R3.5948 OC1CC(C1)CNCc2csc3c2cccc3 270004a_100016992100_100000239721 [1,0,0,0,0,1|0,1,0]=3 833 B19R3.5948 OC1CC(C1)CNCc2n[nH]c3c2cccc3 207a_100016992100_100000059708 [1,0,0,0,0,1|2,0,0]=4 834 B19R3.5948 OC1CC(C1)CNCc2n[nH]c3c2cccc3 270004a_100016992100_100000059708 [1,0,0,0,0,1|2,0,0]=4 835 B19R3.5948 O[C@H]1C[C@@H](C1)NCCc2c[nH]c3c2cccc3 2230a_100020629032_100011218569 [1,0,0,0,0,1|1,0,0]=3 836 B19R3.5948 O[C@H]1C[C@@H](C1)NCCc2c[nH]c3c2cccn3 2230a_100020629032_100009895007 [1,0,0,0,0,1|2,0,0]=4 837 B19R3.92158 FC1CC(C1)NCC2=Cc3ccccc3OC2 270004a_100016993743_100000013085 [1,0,0,0,0,1|1,0,1]=4 838 B19R3.92158 FC1CC(C1)NCc2ccc3ccccc3c2 207a_100016993743_100000211584 [1,0,0,0,0,1|2,0,0]=4 839 B19R3.92158 FC1CC(C1)NCc2ccc3ccccc3c2 2230a_100016993743_100011216711 [1,0,0,0,0,1|2,0,0]=4 840 B19R3.92158 FC1CC(C1)NCc2ccc3ccccc3c2 270004a_100016993743_100000211584 [1,0,0,0,0,1|2,0,0]=4 841 B19R3.92158 FC1CC(C1)NCc2ccc3ccccc3n2 207a_100016993743_100000759686 [1,0,0,0,0,1|2,0,0]=4 842 B19R3.92158 FC1CC(C1)NCc2ccc3ccccc3n2 2230a_100016993743_100000737579 [1,0,0,0,0,1|2,0,0]=4 843 B19R3.92158 FC1CC(C1)NCc2ccc3ccccc3n2 270004a_100016993743_100000759686 [1,0,0,0,0,1|2,0,0]=4 844 B19R3.92158 FC1CC(C1)NCc2cnc3ccccc3c2 207a_100016993743_100000750898 [1,0,0,0,0,1|2,0,0]=4 845 B19R3.92158 FC1CC(C1)NCc2cnc3ccccc3c2 270004a_100016993743_100000750898 [1,0,0,0,0,1|2,0,0]=4 846 B19R3.92158 FC1CC(C1)NCc2cnc3ccccc3n2 270004a_100016993743_100000204677 [1,0,0,0,0,1|2,0,0]=4 847 B19R3.92158 O[C@H]1C[C@@H](C1)NCC2=Cc3ccccc3OC2 270004a_100020629032_100000013085 [1,0,0,0,0,1|0,0,1]=3 848 B19R3.92158 O[C@H]1C[C@@H](C1)NCC2COc3ccccc3O2 2230a_100020629032_100011215957 [1,0,0,0,0,1|0,0,2]=4 849 B19R3.92158 O[C@H]1C[C@@H](C1)NCc2cc3ccccc3cn2 207a_100020629032_100000059776 [1,0,0,0,0,1|2,0,0]=4 850 B19R3.92158 O[C@H]1C[C@@H](C1)NCc2cc3ccccc3cn2 2230a_100020629032_100009869231 [1,0,0,0,0,1|2,0,0]=4 851 B19R3.92158 O[C@H]1C[C@@H](C1)NCc2cc3ccccc3cn2 270004a_100020629032_100000059776 [1,0,0,0,0,1|2,0,0]=4 852 B19R3.92158 O[C@H]1C[C@@H](C1)NCc2ccc3ccccc3c2 207a_100020629032_100000211584 [1,0,0,0,0,1|1,0,0]=3 853 B19R3.92158 O[C@H]1C[C@@H](C1)NCc2ccc3ccccc3c2 2230a_100020629032_100011216711 [1,0,0,0,0,1|1,0,0]=3 854 B19R3.92158 O[C@H]1C[C@@H](C1)NCc2ccc3ccccc3c2 270004a_100020629032_100000211584 [1,0,0,0,0,1|1,0,0]=3 855 B19R3.92158 O[C@H]1C[C@@H](C1)NCc2ccc3ccccc3n2 207a_100020629032_100000759686 [1,0,0,0,0,1|1,0,0]=3 856 B19R3.92158 O[C@H]1C[C@@H](C1)NCc2ccc3ccccc3n2 2230a_100020629032_100000737579 [1,0,0,0,0,1|1,0,0]=3 857 B19R3.92158 O[C@H]1C[C@@H](C1)NCc2ccc3ccccc3n2 270004a_100020629032_100000759686 [1,0,0,0,0,1|1,0,0]=3 858 B19R3.92158 O[C@H]1C[C@@H](C1)NCc2ccc3cccnc3c2 207a_100020629032_100011784159 [1,0,0,0,0,1|2,0,0]=4 859 B19R3.92158 O[C@H]1C[C@@H](C1)NCc2ccc3cccnc3c2 270004a_100020629032_100011784159 [1,0,0,0,0,1|2,0,0]=4 860 B19R3.92158 O[C@H]1C[C@@H](C1)NCc2ccc3cnccc3c2 207a_100020629032_100000068276 [1,0,0,0,0,1|2,0,0]=4 861 B19R3.92158 O[C@H]1C[C@@H](C1)NCc2ccc3cnccc3c2 2230a_100020629032_100020605334 [1,0,0,0,0,1|2,0,0]=4 862 B19R3.92158 O[C@H]1C[C@@H](C1)NCc2ccc3cnccc3c2 270004a_100020629032_100000068276 [1,0,0,0,0,1|2,0,0]=4 863 B19R3.92158 O[C@H]1C[C@@H](C1)NCc2ccc3ncccc3c2 207a_100020629032_100000211315 [1,0,0,0,0,1|2,0,0]=4 864 B19R3.92158 O[C@H]1C[C@@H](C1)NCc2ccc3ncccc3c2 2230a_100020629032_100000703657 [1,0,0,0,0,1|2,0,0]=4 865 B19R3.92158 O[C@H]1C[C@@H](C1)NCc2ccc3ncccc3c2 270004a_100020629032_100000211315 [1,0,0,0,0,1|2,0,0]=4 866 B19R3.92158 O[C@H]1C[C@@H](C1)NCc2cnc3ccccc3c2 207a_100020629032_100000750898 [1,0,0,0,0,1|1,0,0]=3 867 B19R3.92158 O[C@H]1C[C@@H](C1)NCc2cnc3ccccc3c2 270004a_100020629032_100000750898 [1,0,0,0,0,1|1,0,0]=3 868 B19R3.92158 O[C@H]1C[C@@H](C1)NCc2cnc3ccccc3n2 270004a_100020629032_100000204677 [1,0,0,0,0,1|1,0,0]=3 869 B19R3.48688 CC(=NNC1CCC1)c2c[nH]c3c2cccc3 4a_100000736358_100000187069 [1,0,0,0,0,1|1,0,1]=4 870 B19R3.48688 CC(=NNC1CCC1)c2coc3c2cccc3 4a_100000736358_100000751042 [1,0,0,0,0,1|0,0,1]=3 871 B19R3.48688 CC(=NNC1CCC1)c2csc3c2cccc3 4a_100000736358_100000689785 [1,0,0,0,0,1|0,1,1]=4 872 B19R3.48688 CC(=NNC1COC1)c2coc3c2cccc3 4a_100015188821_100000751042 [1,0,0,0,0,1|1,0,1]=4 873 B19R3.48688 CC(NCC1CCC1)c2coc3c2cccc3 269862a_100000738700_100000751042 [1,0,0,0,0,1|0,0,0]=2 874 B19R3.48688 CC(NCC1CCC1)c2csc3c2cccc3 269862a_100000738700_100000689785 [1,0,0,0,0,1|0,1,0]=3 875 B19R3.48688 CC(NCC1CCC1)c2n[nH]c3c2cccc3 269862a_100000738700_100000087549 [1,0,0,0,0,1|2,0,0]=4 876 B19R3.48688 CC(NCC1COC1)c2coc3c2cccc3 269862a_100015281925_100000751042 [1,0,0,0,0,1|1,0,0]=3 877 B19R3.48688 CC(NCC1COC1)c2csc3c2cccc3 269862a_100015281925_100000689785 [1,0,0,0,0,1|1,1,0]=4 878 B19R3.48688 CC(NC[C@@H]1CCO1)c2coc3c2cccc3 269862a_100020831831_100000751042 [1,0,0,0,0,1|1,0,0]=3 879 B19R3.48688 CC(NC[C@@H]1CCO1)c2csc3c2cccc3 269862a_100020831831_100000689785 [1,0,0,0,0,1|1,1,0]=4 880 B19R3.202552 CC(NC1CCC1)C2COc3ccccc3O2 270004a_100015185755_100000241760 [1,0,0,0,0,1|0,0,2]=4 881 B19R3.202552 CC(NC1CCC1)C2COc3ccccc3O2 34a_100015185755_100000749161 [1,0,0,0,0,1|0,0,2]=4 882 B19R3.202552 CC(NC1CCC1)c2cc3ccccc3cn2 269862a_100000749019_200000084103 [1,0,0,0,0,1|2,0,0]=4 883 B19R3.202552 CC(NC1CCC1)c2ccc3ccccc3c2 269862a_100000749019_100000210793 [1,0,0,0,0,1|1,0,0]=3 884 B19R3.202552 CC(NC1CCC1)c2ccc3ccccc3c2 270004a_100000737073_100000241760 [1,0,0,0,0,1|1,0,0]=3 885 B19R3.202552 CC(NC1CCC1)c2ccc3ccccc3n2 269862a_100000749019_100000684817 [1,0,0,0,0,1|1,0,0]=3 886 B19R3.202552 CC(NC1CCC1)c2ccc3ncccc3c2 269862a_100000749019_100011286481 [1,0,0,0,0,1|2,0,0]=4 887 B19R3.202552 CC(NC1CCC1)c2cnc3ccccc3c2 269862a_100000749019_100011376191 [1,0,0,0,0,1|1,0,0]=3 888 B19R3.202552 CC(NC1CCC1)c2cnc3ccccc3n2 269862a_100000749019_100011830413 [1,0,0,0,0,1|1,0,0]=3 889 B19R3.202552 CC(NC1COC1)c2ccc3ccccc3c2 269862a_100016991112_100000210793 [1,0,0,0,0,1|2,0,0]=4 890 B19R3.202552 CC(NC1COC1)c2ccc3ccccc3n2 269862a_100016991112_100000684817 [1,0,0,0,0,1|2,0,0]=4 891 B19R3.202552 CC(NC1COC1)c2cnc3ccccc3c2 269862a_100016991112_100011376191 [1,0,0,0,0,1|2,0,0]=4 892 B19R3.202552 CC(NC1COC1)c2cnc3ccccc3n2 269862a_100016991112_100011830413 [1,0,0,0,0,1|2,0,0]=4 893 B19R3.202552 CC(NC1CSC1)c2ccc3ccccc3c2 269862a_100016994217_100000210793 [1,0,0,0,0,1|2,0,0]=4 894 B19R3.202552 CC(NC1CSC1)c2ccc3ccccc3n2 269862a_100016994217_100000684817 [1,0,0,0,0,1|2,0,0]=4 895 B19R3.202552 CC(NC1CSC1)c2cnc3ccccc3c2 269862a_100016994217_100011376191 [1,0,0,0,0,1|2,0,0]=4 896 B19R3.202552 CC(NC1CSC1)c2cnc3ccccc3n2 269862a_100016994217_100011830413 [1,0,0,0,0,1|2,0,0]=4 897 B19R3.202552 CC(OC1CCC1)c2ccc3ccccc3c2 34a_100011215343_100000749161 [1,0,0,0,0,1|2,0,0]=4 898 B19R3.202570 CC(NC1CCC1)c2cccc3c2cccc3 269862a_100000749019_100000210126 [1,0,0,0,0,1|1,0,0]=3 899 B19R3.202570 CC(NC1CCC1)c2cccc3c2nccc3 269862a_100000749019_100011995788 [1,0,0,0,0,1|2,0,0]=4 900 B19R3.202570 CC(NC1CCC1)c2cncc3c2cccc3 269862a_100000749019_100011951259 [1,0,0,0,0,1|1,0,0]=3 901 B19R3.202570 CC(NC1CCC1)c2nccc3c2cccc3 269862a_100000749019_100000742330 [1,0,0,0,0,1|1,0,0]=3 902 B19R3.202570 CC(NC1COC1)c2cccc3c2cccc3 269862a_100016991112_100000210126 [1,0,0,0,0,1|2,0,0]=4 903 B19R3.202570 CC(NC1COC1)c2cncc3c2cccc3 269862a_100016991112_100011951259 [1,0,0,0,0,1|2,0,0]=4 904 B19R3.202570 CC(NC1COC1)c2nccc3c2cccc3 269862a_100016991112_100000742330 [1,0,0,0,0,1|2,0,0]=4 905 B19R3.202570 CC(NC1CSC1)c2cccc3c2cccc3 269862a_100016994217_100000210126 [1,0,0,0,0,1|2,0,0]=4 906 B19R3.202570 CC(NC1CSC1)c2cncc3c2cccc3 269862a_100016994217_100011951259 [1,0,0,0,0,1|2,0,0]=4 907 B19R3.202570 CC(NC1CSC1)c2nccc3c2cccc3 269862a_100016994217_100000742330 [1,0,0,0,0,1|2,0,0]=4 908 B19R3.202570 C[C@H](NC1CCC1)c2cccc3c2cccc3 270004a_100011830313_100000241760 [1,0,0,0,0,1|1,0,0]=3 909 B19R3.202570 C[C@H](OC1CCC1)c2cccc3c2cccc3 34a_100011852130_100000749161 [1,0,0,0,0,1|2,0,0]=4 910 B19R3.202574 CC(Cc1c[nH]c2c1cccc2)NC3COC3 270004a_100016991112_100000030300 [1,0,0,0,0,1|2,0,0]=4 911 B19R3.202574 CC(Cc1c[nH]c2c1cccc2)NC3CSC3 270004a_100016994217_100000030300 [1,0,0,0,0,1|2,0,0]=4 912 B19R3.202574 CN(Cc1coc2c1cccc2)CC3CCC3 270004a_200000750244_100000688544 [1,0,0,0,0,1|2,0,0]=4 913 B19R3.202574 O=C(Cc1coc2c1cccc2)NC3CCC3 11a_100000749019_100000217546 [1,0,0,0,0,1|1,0,1]=4 914 B19R3.202574 O=C(Cc1coc2c1cccc2)NC3CCC3 1626a_100000749019_100000217546 [1,0,0,0,0,1|1,0,1]=4 915 B19R3.202574 O=C(Cc1coc2c1cccc2)NC3CCC3 240690a_100000749019_100000217546 [1,0,0,0,0,1|1,0,1]=4 916 B19R3.202574 O=C(Cc1coc2c1cccc2)NC3CCC3 527a_100000749019_100000217546 [1,0,0,0,0,1|1,0,1]=4 917 B21R3.866 CC(NC1CCC(=O)NC1)c2coc3c2cccc3 269862a_100000748762_100000751042 [0,0,0,0,0,2|0,0,2]=4 918 B21R3.866 CC(NC1CCN(CC1)C)c2coc3c2cccc3 269862a_100000198570_100000751042 [0,0,0,0,0,2|2,0,0]=4 919 B21R3.866 CC(N[C@H]1CC[C@@H](CC1)C)c2coc3c2cccc3 269862a_100020625639_100000751042 [0,0,0,0,0,2|1,0,0]=3 920 B21R3.866 CC(N[C@H]1CC[C@@H](CC1)C)c2csc3c2cccc3 269862a_100020625639_100000689785 [0,0,0,0,0,2|1,1,0]=4 921 B21R3.866 CC(N[C@H]1CC[C@H](CC1)O)c2coc3c2cccc3 269862a_100020628982_100000751042 [0,0,0,0,0,2|0,0,0]=2 922 B21R3.866 CC(N[C@H]1CC[C@H](CC1)O)c2csc3c2cccc3 269862a_100020628982_100000689785 [0,0,0,0,0,2|0,1,0]=3 923 B21R3.866 CC(N[C@H]1CC[C@H](CC1)O)c2n[nH]c3c2cccc3 269862a_100020628982_100000087549 [0,0,0,0,0,2|2,0,0]=4 924 B21R3.7452 CC(NCC1CCN(C1)C)c2coc3c2cccc3 269862a_100000742581_100000751042 [0,0,0,0,0,2|2,0,0]=4 925 B21R3.7452 CC(NCC1CNC(=O)C1)c2coc3c2cccc3 269862a_100016993742_100000751042 [0,0,0,0,0,2|0,0,2]=4 926 B21R3.7509 CC(Cc1c[nH]c2c1cccc2)N[C@H]3CC[C@H](C3)O 270004a_100015195300_100000030300 [0,0,0,0,0,2|1,0,0]=3 927 B21R3.7509 O=C(Cc1coc2c1cccc2)N[C@H]3CC[C@H](C3)O 1626a_100015195300_100000217546 [0,0,0,0,0,2|1,0,1]=4 928 B21R3.7509 O=C(Cc1coc2c1cccc2)N[C@H]3CC[C@H](C3)O 240690a_100015195300_100000217546 [0,0,0,0,0,2|1,0,1]=4 929 B21R3.21581 CC(NC1CCCC(C1)O)c2coc3c2cccc3 269862a_100015190357_100000751042 [0,0,0,0,0,2|0,0,0]=2 930 B21R3.21581 CC(NC1CCCC(C1)O)c2csc3c2cccc3 269862a_100015190357_100000689785 [0,0,0,0,0,2|0,1,0]=3 931 B21R3.21581 CC(NC1CCCC(C1)O)c2n[nH]c3c2cccc3 269862a_100015190357_100000087549 [0,0,0,0,0,2|2,0,0]=4 932 B21R3.21581 CC(NC1CCNC(=O)C1)c2coc3c2cccc3 269862a_100016994916_100000751042 [0,0,0,0,0,2|0,0,2]=4 933 B21R3.21581 CC(N[C@H]1CCCN(C1)C)c2coc3c2cccc3 269862a_100016992120_100000751042 [0,0,0,0,0,2|2,0,0]=4 934 B21R3.21581 CC1CCCC(C1)NC(C)c2coc3c2cccc3 269862a_100011194320_100000751042 [0,0,0,0,0,2|1,0,0]=3 935 B21R3.21581 CC1CCCC(C1)NC(C)c2csc3c2cccc3 269862a_100011194320_100000689785 [0,0,0,0,0,2|1,1,0]=4 936 B21R3.141346 CC(NC1CCC(C1)O)C2COc3ccccc3O2 270004a_100015185755_100012614533 [0,0,0,0,0,2|0,0,2]=4 937 B21R3.141346 CC(NC1CCC(C1)O)c2ccc3ccccc3c2 270004a_100000737073_100012614533 [0,0,0,0,0,2|1,0,0]=3 938 B21R3.141346 CC(N[C@H]1CC[C@H](C1)O)C2COc3ccccc3O2 270004a_100015195300_100011934066 [0,0,0,0,0,2|0,0,2]=4 939 B21R3.141346 CC(N[C@H]1CC[C@H](C1)O)c2cc3ccccc3cn2 269862a_100015195300_200000084103 [0,0,0,0,0,2|2,0,0]=4 940 B21R3.141346 CC(N[C@H]1CC[C@H](C1)O)c2ccc3ccccc3c2 269862a_100015195300_100000210793 [0,0,0,0,0,2|1,0,0]=3 941 B21R3.141346 CC(N[C@H]1CC[C@H](C1)O)c2ccc3ccccc3n2 269862a_100015195300_100000684817 [0,0,0,0,0,2|1,0,0]=3 942 B21R3.141346 CC(N[C@H]1CC[C@H](C1)O)c2ccc3ncccc3c2 269862a_100015195300_100011286481 [0,0,0,0,0,2|2,0,0]=4 943 B21R3.141346 CC(N[C@H]1CC[C@H](C1)O)c2cnc3ccccc3c2 269862a_100015195300_100011376191 [0,0,0,0,0,2|1,0,0]=3 944 B21R3.141346 CC(N[C@H]1CC[C@H](C1)O)c2cnc3ccccc3n2 269862a_100015195300_100011830413 [0,0,0,0,0,2|1,0,0]=3 945 B21R3.141346 CC1CCC(C1)NC(C)c2ccc3ccccc3c2 270004a_100000737073_100011215218 [0,0,0,0,0,2|2,0,0]=4 946 B21R3.144107 CC(N[C@H]1CC[C@H](C1)O)c2cccc3c2cccc3 269862a_100015195300_100000210126 [0,0,0,0,0,2|1,0,0]=3 947 B21R3.144107 CC(N[C@H]1CC[C@H](C1)O)c2cccc3c2nccc3 269862a_100015195300_100011995788 [0,0,0,0,0,2|2,0,0]=4 948 B21R3.144107 CC(N[C@H]1CC[C@H](C1)O)c2cncc3c2cccc3 269862a_100015195300_100011951259 [0,0,0,0,0,2|1,0,0]=3 949 B21R3.144107 CC(N[C@H]1CC[C@H](C1)O)c2nccc3c2cccc3 269862a_100015195300_100000742330 [0,0,0,0,0,2|1,0,0]=3 950 B21R3.144107 CC1CCC(C1)N[C@@H](C)c2cccc3c2cccc3 270004a_100011830313_100011215218 [0,0,0,0,0,2|2,0,0]=4 951 B21R3.144107 C[C@H](NC1CCC(C1)O)c2cccc3c2cccc3 270004a_100011830313_100012614533 [0,0,0,0,0,2|1,0,0]=3 952 B21R3.21140 CC(Cc1c[nH]c2c1cccc2)NCC3CC(C3)O 270004a_100016992100_100000030300 [0,0,0,0,0,2|1,0,0]=3 953 B21R3.21140 O=C(Cc1coc2c1cccc2)NCC3CC(C3)O 11a_100016992100_100000217546 [0,0,0,0,0,2|1,0,1]=4 954 B21R3.21140 O=C(Cc1coc2c1cccc2)NCC3CC(C3)O 240690a_100016992100_100000217546 [0,0,0,0,0,2|1,0,1]=4 955 B21R3.238883 CC(NCC1CC(C1)O)c2cccc3c2cccc3 269862a_100016992100_100000210126 [0,0,0,0,0,2|1,0,0]=3 956 B21R3.238883 CC(NCC1CC(C1)O)c2cccc3c2nccc3 269862a_100016992100_100011995788 [0,0,0,0,0,2|2,0,0]=4 957 B21R3.238883 CC(NCC1CC(C1)O)c2cncc3c2cccc3 269862a_100016992100_100011951259 [0,0,0,0,0,2|1,0,0]=3 958 B21R3.238883 CC(NCC1CC(C1)O)c2nccc3c2cccc3 269862a_100016992100_100000742330 [0,0,0,0,0,2|1,0,0]=3 959 B21R3.238909 CC(NCC1CC(C1)O)C2COc3ccccc3O2 270004a_100016992100_100011934066 [0,0,0,0,0,2|0,0,2]=4 960 B21R3.238909 CC(NCC1CC(C1)O)c2cc3ccccc3cn2 269862a_100016992100_200000084103 [0,0,0,0,0,2|2,0,0]=4 961 B21R3.238909 CC(NCC1CC(C1)O)c2ccc3ccccc3c2 269862a_100016992100_100000210793 [0,0,0,0,0,2|1,0,0]=3 962 B21R3.238909 CC(NCC1CC(C1)O)c2ccc3ccccc3n2 269862a_100016992100_100000684817 [0,0,0,0,0,2|1,0,0]=3 963 B21R3.238909 CC(NCC1CC(C1)O)c2ccc3ncccc3c2 269862a_100016992100_100011286481 [0,0,0,0,0,2|2,0,0]=4 964 B21R3.238909 CC(NCC1CC(C1)O)c2cnc3ccccc3c2 269862a_100016992100_100011376191 [0,0,0,0,0,2|1,0,0]=3 965 B21R3.238909 CC(NCC1CC(C1)O)c2cnc3ccccc3n2 269862a_100016992100_100011830413 [0,0,0,0,0,2|1,0,0]=3 966 B21R3.239882 CC(CCc1c[nH]c2c1cccc2)NC3CC(C3)F 270004a_100016993743_100102524982 [0,0,0,0,0,2|2,0,0]=4 967 B21R3.239882 CC(CCc1c[nH]c2c1cccc2)N[C@H]3C[C@@H](C3)O 270004a_100020629032_100102524982 [0,0,0,0,0,2|1,0,0]=3 968 B21R3.463916 CC(Cc1ccc2ccccc2n1)NC3CC(C3)F 270004a_100016993743_100011245913 [0,0,0,0,0,2|2,0,0]=4 969 B21R3.463916 CC(Cc1ccc2ccccc2n1)N[C@H]3C[C@@H](C3)O 270004a_100020629032_100011245913 [0,0,0,0,0,2|1,0,0]=3 970 B21R3.7399346 O=C(N[C@H]1C[C@@H](C1)O)C2=Cc3ccccc3OC=C2 11a_100020629032_200000089061 [0,0,0,0,0,2|1,0,1]=4 971 B21R3.7399346 O=C(N[C@H]1C[C@@H](C1)O)C2=Cc3ccccc3OC=C2 1626a_100020629032_200000089061 [0,0,0,0,0,2|1,0,1]=4 972 B21R3.7399346 O=C(N[C@H]1C[C@@H](C1)O)C2=Cc3ccccc3OC=C2 240690a_100020629032_200000089061 [0,0,0,0,0,2|1,0,1]=4