0 B28R3.7974380 Cc1ccc(cc1)C2(O)CCN(CC2)CCCC(=O)c3ccc(cc3)F Amb17618109 [0,0,0,0,0,0|0,0,0]=0 1 B28R3.7974380 Cc1ccc(cc1)C2(O)CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2 Amb24080514 [0,0,0,0,0,0|0,0,1]=1 2 B28R3.7974380 Clc1ccc(cc1)C(=O)CCCN2CCC(CC2)(O)c3ccc(cc3)Cl Amb13888591 [0,0,0,0,0,0|1,1,0]=2 3 B28R3.7974380 Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)(O)c3ccc(cc3)Br Amb10843839 [0,0,0,0,0,0|1,0,0]=1 4 B28R3.7974380 Fc1ccc(cc1)C(CCCN2CCC(CC2)(O)c3ccc(cc3)Cl)O Amb13888592 [0,0,0,0,0,0|1,0,2]=3 5 B27R3.6418006 Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)(O)c3ccccc3 Amb17611636 [1,0,0,0,0,0|0,0,0]=1 6 B27R3.19167932 Fc1ccc(cc1)C2(O)CCN(CC2)CCNC(=O)c3ccncc3 Amb13910905 [1,0,0,0,0,0|3,0,0]=4 7 B29R3.9783349 OC1(CCN(CC1)C(=O)CCC(=O)c2ccc(F)cc2)c3ccc(Cl)cc3 Amb22444074 [0,1,0,0,0,0|1,0,1]=3 8 B29R3.3070040585 Fc1ccc(cc1)C(=O)CCC[N+]2([O-])CCC(CC2)(O)c3ccc(cc3)Cl Amb17614876 [0,1,0,0,0,0|1,0,1]=3 9 B27R3.2894006 Cc1c[n]c(cc1)C2(O)CCN(CCC(=O)c3ccc(F)cc3)CC2 Amb19710929 [0,0,0,0,1,0|1,0,0]=2 10 B27R3.159368207 Cc1ccc(cc1)C2(O)CCN(CC2)CCNC(=O)c3ccc(s3)C Amb13911037 [0,0,0,0,1,0|3,0,0]=4 11 B27R3.159368207 Cc1ccc(cc1)C2(O)CCN(CC2)CCNC(=O)c3csc(c3)C Amb13911036 [0,0,0,0,1,0|3,0,0]=4 12 B29R3.10035184 O=C(Cc1ccc(cc1)C)NCCN2CCC(CC2)(O)c3ccc(cc3)C Amb13911011 [0,0,0,0,0,1|2,0,0]=3 13 B29R3.10035184 O=C(Cc1ccc(cc1)C)NCCN2CCC(CC2)(O)c3ccc(cc3)F Amb13910919 [0,0,0,0,0,1|3,0,0]=4 14 B29R3.10035184 O=C(Cc1ccc(cc1)Cl)NCCN2CCC(CC2)(O)c3ccc(cc3)C Amb13911007 [0,0,0,0,0,1|1,1,0]=3 15 B29R3.10035184 O=C(Cc1ccc(cc1)Cl)NCCN2CCC(CC2)(O)c3ccc(cc3)F Amb13910913 [0,0,0,0,0,1|2,1,0]=4 16 B29R3.10035184 O=C(Cc1ccc(cc1)F)NCCN2CCC(CC2)(O)c3ccc(cc3)C Amb13911009 [0,0,0,0,0,1|1,0,0]=2 17 B29R3.10035184 O=C(Cc1ccc(cc1)F)NCCN2CCC(CC2)(O)c3ccc(cc3)F Amb13910917 [0,0,0,0,0,1|2,0,0]=3 18 B26R3.98192 OC1(CCN(CCCC(=O)c2ccccc2)CC1)c3c[n]ccc3 Amb20011218 [2,0,0,0,0,0|1,0,0]=3 19 B28R3.3665447 COc1ccc(cc1)C2(O)CCN(CC2)CCNC(=O)c3ccccn3 Amb13910989 [1,1,0,0,0,0|2,0,0]=4 20 B28R3.3665447 COc1ccc(cc1)C2(O)CCN(CC2)CCNC(=O)c3cccnc3 Amb13910987 [1,1,0,0,0,0|2,0,0]=4 21 B28R3.3665447 COc1ccc(cc1)C2(O)CCN(CC2)CCNC(=O)c3ccncc3 Amb13910988 [1,1,0,0,0,0|2,0,0]=4 22 B28R3.234439755 Cc1ccc(cc1)C2(O)CCN(CC2)CCNC(=O)c3cccc(c3)F Amb13910998 [1,1,0,0,0,0|1,0,0]=3 23 B28R3.234439755 Fc1ccc(cc1)C2(O)CCN(CC2)CCNC(=O)c3cccc(c3)F Amb13910903 [1,1,0,0,0,0|2,0,0]=4 24 B28R3.234439761 Cc1ccc(cc1)C2(O)CCN(CC2)CCNC(=O)c3ccccc3F Amb13910993 [1,1,0,0,0,0|1,0,0]=3 25 B28R3.234439761 Fc1ccc(cc1)C2(O)CCN(CC2)CCNC(=O)c3ccccc3F Amb13910899 [1,1,0,0,0,0|2,0,0]=4 26 B28R3.234439761 OC1(CCN(CCCC(=O)c2ccccc2F)CC1)c3ccc(Cl)cc3 Amb22054861 [1,1,0,0,0,0|1,0,0]=3 27 B30R3.5440932 COc1ccc(cc1)CC(=O)NCCN2CCC(CC2)(O)c3ccc(cc3)C Amb13911008 [0,1,0,0,0,1|2,0,0]=4 28 B30R3.5440932 Cc1c[n]c(cc1)C2(O)CCN(CCCC(=O)Nc3ccc(cc3)C#N)CC2 Amb19609705 [0,1,0,0,0,1|2,0,0]=4 29 B30R3.1723363950 COc1ccc(cc1)C2(O)CCN(CC2)CCNC(=O)Cc3ccc(cc3)F Amb13910991 [0,1,0,0,0,1|1,0,0]=3 30 B30R3.50553515 CCOc1ccc(cc1)C(=O)NCCN2CCC(CC2)(O)c3ccc(cc3)C Amb13911000 [0,2,0,0,0,0|2,0,0]=4 31 B30R3.1605440181 Cc1ccc(cc1)C2(O)CCN(CC2)CCNC(=O)c3ccc(cc3)N(C)C Amb13911006 [0,2,0,0,0,0|2,0,0]=4 32 B30R3.24243782 CCc1cc(ccc1F)C(=O)CCCN2CCC(O)(CC2)c3ccc(Cl)cc3 Amb22055220 [0,2,0,0,0,0|1,0,0]=3 33 B26R3.147749 Cc1c[n]c(cc1)C2(O)CCN(CCOc3ccc(F)cc3)CC2 Amb19595027 [1,0,0,0,1,0|2,0,0]=4 34 B26R3.145833562 Cc1ccc(cc1)C2(O)CCN(CC2)CCNC(=O)c3cccs3 Amb13910994 [1,0,0,0,1,0|2,0,0]=4