0 B27R3.27409077 O=C(CCCC[C@@H]1CCSS1)NC2CCCN(C2=O)c3ccccc3 11a_200000755930_100009816572 [0,0,1,0,0,0|2,0,0]=3 1 B27R3.27409077 O=C(CCCC[C@@H]1CCSS1)NC2CCCN(C2=O)c3ccccc3 1626a_200000755930_100009816572 [0,0,1,0,0,0|2,0,0]=3 2 B27R3.27409077 O=C(CCCC[C@@H]1CCSS1)NC2CCCN(C2=O)c3ccccc3 240690a_200000755930_100009816572 [0,0,1,0,0,0|2,0,0]=3 3 B27R3.27409077 O=C(CCCC[C@@H]1CCSS1)NC2CCCN(C2=O)c3ccccc3 527a_200000755930_100009816572 [0,0,1,0,0,0|2,0,0]=3 4 B27R4.30221638 O=C(CCCCC1OCCO1)C2CCCc3c2[nH]c4c3cccc4 1458a_200000068633_100000034956 [0,0,0,0,1,0|2,1,0]=4 5 B27R4.30221638 O=C(NCCCC1CCCC1)C2CCCc3c2[nH]c4c3cccc4 11a_100000736752_200000068633 [0,0,0,0,1,0|3,0,0]=4 6 B27R4.30221638 O=C(NCCCC1CCCC1)C2CCCc3c2[nH]c4c3cccc4 240690a_100000736752_200000068633 [0,0,0,0,1,0|3,0,0]=4 7 B27R4.30221638 O=C(NCCCC1CCCC1)C2CCCc3c2[nH]c4c3cccc4 527a_100000736752_200000068633 [0,0,0,0,1,0|3,0,0]=4 8 B26R3.7279088 CCn1c(nc2c1cccc2)CNC(=O)CCCC[C@@H]3CCSS3 11a_100000700924_100009816572 [1,0,1,0,0,0|1,0,1]=4 9 B26R3.7279088 CCn1c(nc2c1cccc2)CNC(=O)CCCC[C@@H]3CCSS3 1626a_100000700924_100009816572 [1,0,1,0,0,0|1,0,1]=4 10 B26R3.7279088 CCn1c(nc2c1cccc2)CNC(=O)CCCC[C@@H]3CCSS3 240690a_100000700924_100009816572 [1,0,1,0,0,0|1,0,1]=4 11 B26R3.7279088 CCn1c(nc2c1cccc2)CNC(=O)CCCC[C@@H]3CCSS3 527a_100000700924_100009816572 [1,0,1,0,0,0|1,0,1]=4 12 B28R3.1169751223 CC(C)C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c2nc3ccccc3[nH]2 11a_200010163950_100009816572 [0,1,1,0,0,0|1,0,0]=3 13 B28R3.1169751223 CC(C)C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c2nc3ccccc3[nH]2 1626a_200010163950_100009816572 [0,1,1,0,0,0|1,0,0]=3 14 B28R3.1169751223 CC(C)C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c2nc3ccccc3[nH]2 240690a_200010163950_100009816572 [0,1,1,0,0,0|1,0,0]=3 15 B28R3.1169751223 CC(C)C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c2nc3ccccc3[nH]2 527a_200010163950_100009816572 [0,1,1,0,0,0|1,0,0]=3 16 B28R3.1862551328 CSCCC(NC(=O)CCCC[C@@H]1CCSS1)c2nc3ccccc3[nH]2 1626a_100000737047_100009816572 [0,1,1,0,0,0|1,0,0]=3 17 B28R3.1862551328 CSCCC(NC(=O)CCCC[C@@H]1CCSS1)c2nc3ccccc3[nH]2 240690a_100000737047_100009816572 [0,1,1,0,0,0|1,0,0]=3 18 B28R3.1862551328 CSCCC(NC(=O)CCCC[C@@H]1CCSS1)c2nc3ccccc3[nH]2 527a_100000737047_100009816572 [0,1,1,0,0,0|1,0,0]=3 19 B28R4.212542761 O=C(CCCC[C@@H]1CCSS1)N[C@@H]2CCc3[nH]c4ccccc4c3C2 1626a_100015190494_100009816572 [0,0,1,1,0,0|0,0,2]=4 20 B28R4.212542761 O=C(CCCC[C@@H]1CCSS1)N[C@@H]2CCc3[nH]c4ccccc4c3C2 240690a_100015190494_100009816572 [0,0,1,1,0,0|0,0,2]=4 21 B28R4.212542761 O=C(CCCC[C@@H]1CCSS1)N[C@@H]2CCc3[nH]c4ccccc4c3C2 527a_100015190494_100009816572 [0,0,1,1,0,0|0,0,2]=4 22 B28R4.40926860 O=C(CCCC[C@@H]1CCSS1)N2CCCC2c3nc4ccccc4[nH]3 11a_100015201764_100009816572 [0,0,1,1,0,0|1,0,0]=3 23 B28R4.40926860 O=C(CCCC[C@@H]1CCSS1)N2CCCC2c3nc4ccccc4[nH]3 1626a_100015201764_100009816572 [0,0,1,1,0,0|1,0,0]=3 24 B28R4.40926860 O=C(CCCC[C@@H]1CCSS1)N2CCCC2c3nc4ccccc4[nH]3 240690a_100015201764_100009816572 [0,0,1,1,0,0|1,0,0]=3 25 B28R4.40926860 O=C(CCCC[C@@H]1CCSS1)N2CCCC2c3nc4ccccc4[nH]3 527a_100015201764_100009816572 [0,0,1,1,0,0|1,0,0]=3 26 B28R4.40926860 O=C(CCCC[C@@H]1CCSS1)N2CCCC2c3nc4ccccc4s3 11a_200000683192_100009816572 [0,0,1,1,0,0|1,0,1]=4 27 B28R4.40926860 O=C(CCCC[C@@H]1CCSS1)N2CCCC2c3nc4ccccc4s3 1626a_200000683192_100009816572 [0,0,1,1,0,0|1,0,1]=4 28 B28R4.40926860 O=C(CCCC[C@@H]1CCSS1)N2CCCC2c3nc4ccccc4s3 240690a_200000683192_100009816572 [0,0,1,1,0,0|1,0,1]=4 29 B28R4.40926860 O=C(CCCC[C@@H]1CCSS1)N2CCCC2c3nc4ccccc4s3 527a_200000683192_100009816572 [0,0,1,1,0,0|1,0,1]=4 30 B26R3.39699089 O=C(CCCC[C@@H]1CCSS1)NCCCc2c[nH]c3c2cccc3 240690a_100102525078_100009816572 [0,0,1,0,1,0|0,0,0]=2 31 B26R3.39699089 O=C(CCCC[C@@H]1CCSS1)NCCCc2c[nH]c3c2cccc3 527a_100102525078_100009816572 [0,0,1,0,1,0|0,0,0]=2 32 B26R3.39699089 O=C(CCCC[C@@H]1CCSS1)NCCCn2ccc3c2cccc3 11a_100000185030_100009816572 [0,0,1,0,1,0|2,0,0]=4 33 B26R3.39699089 O=C(CCCC[C@@H]1CCSS1)NCCCn2ccc3c2cccc3 1626a_100000185030_100009816572 [0,0,1,0,1,0|2,0,0]=4 34 B26R3.39699089 O=C(CCCC[C@@H]1CCSS1)NCCCn2ccc3c2cccc3 527a_100000185030_100009816572 [0,0,1,0,1,0|2,0,0]=4 35 B26R3.39699089 O=C(CCCC[C@@H]1CCSS1)NCCCn2cnc3c2cccc3 1626a_100000738934_100009816572 [0,0,1,0,1,0|1,0,1]=4 36 B26R3.39699089 O=C(CCCC[C@@H]1CCSS1)NCCCn2cnc3c2cccc3 240690a_100000738934_100009816572 [0,0,1,0,1,0|1,0,1]=4 37 B26R3.39699089 O=C(CCCC[C@@H]1CCSS1)NCCCn2cnc3c2cccc3 527a_100000738934_100009816572 [0,0,1,0,1,0|1,0,1]=4 38 B26R3.17938287 O=C(CCCC[C@@H]1CCSS1)NC2CCN(C2=O)c3ccccc3 11a_200000754093_100009816572 [0,0,1,0,1,0|2,0,0]=4 39 B26R3.17938287 O=C(CCCC[C@@H]1CCSS1)NC2CCN(C2=O)c3ccccc3 1626a_200000754093_100009816572 [0,0,1,0,1,0|2,0,0]=4 40 B26R3.17938287 O=C(CCCC[C@@H]1CCSS1)NC2CCN(C2=O)c3ccccc3 240690a_200000754093_100009816572 [0,0,1,0,1,0|2,0,0]=4 41 B26R3.17938287 O=C(CCCC[C@@H]1CCSS1)NC2CCN(C2=O)c3ccccc3 527a_200000754093_100009816572 [0,0,1,0,1,0|2,0,0]=4 42 B26R3.43035036 C#CCCCCCCCC(=O)C1CCCc2c1[nH]c3c2cccc3 1458a_200000068633_100153394163 [0,0,1,0,1,0|2,0,0]=4 43 B26R3.43035036 O=C(CCCCCCCCO)C1CCCc2c1[nH]c3c2cccc3 1458a_200000068633_100000033203 [0,0,1,0,1,0|1,1,0]=4 44 B26R4.29068791 O=C(CCCC1CCCC1)C2CCCc3c2[nH]c4c3cccc4 1458a_200000068633_100011713738 [0,0,0,0,2,0|2,0,0]=4