0 B22R3.12627361 CCNCCN1c2ccccc2CCc3ccccc13 Amb22455661 [0,0,0,0,0,0|3,0,1]=4 1 B22R3.12627361 CNCCC=C1c2ccccc2C=Cc3c1cccc3 Amb17612157 [0,0,0,0,0,0|0,0,2]=2 2 B22R3.12627361 CNCCC=C1c2ccccc2CCc3c1cccc3 Amb1161258 [0,0,0,0,0,0|0,0,0]=0 3 B22R3.12627361 CNCCC=C1c2ccccc2CCc3c1cccc3 Amb2371759 [0,0,0,0,0,0|0,0,0]=0 4 B22R3.12627361 CNCC\C=C/1\c2ccccc2COc3ccccc31 Amb22455380 [0,0,0,0,0,0|1,0,0]=1 5 B22R3.12627361 CNCC\C=C\1/c2ccccc2COc3ccccc31 Amb22731131 [0,0,0,0,0,0|1,0,0]=1 6 B22R3.12627361 C[NH2+]CCC=C1c2ccccc2C=Cc3ccccc31 Amb22232065 [0,0,0,0,0,0|0,0,3]=3 7 B21R3.590114 N#CCC=C1c2ccccc2CCc3c1cccc3 Amb16210954 [1,0,0,0,0,0|0,0,2]=3 8 B21R3.590114 NCCCN1c2ccccc2CCc3ccccc13 Amb24309866 [1,0,0,0,0,0|1,0,1]=3 9 B21R3.590114 NOCCN1c2ccccc2CCc3ccccc13 Amb22364469 [1,0,0,0,0,0|2,0,1]=4 10 B23R3.19658479 CNCCCN1c2ccccc2CCc3c1ccc(c3)O Amb17615281 [0,1,0,0,0,0|1,0,1]=3 11 B23R3.21774393 CNCC(CN1c2ccccc2CCc3c1cccc3)C Amb17611805 [0,1,0,0,0,0|1,0,1]=3 12 B23R3.21774393 CNCC(O)CN1c2ccccc2CCc3ccccc13 Amb22477981 [0,1,0,0,0,0|1,0,1]=3 13 B23R3.25657126 CCNCCCN1c2ccccc2CCc3ccccc13 Amb22464589 [0,1,0,0,0,0|1,0,1]=3 14 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3ccccc31 Amb22492837 [0,1,0,0,0,0|0,0,0]=1 15 B23R3.26139327 CN(C)CCCC1c2ccccc2COc3ccccc31 Amb22442707 [0,1,0,0,0,0|1,0,2]=4 16 B23R3.26139327 CN(C)CCCC1c2ccccc2CSc3ccccc31 Amb24309707 [0,1,0,0,0,0|1,0,2]=4 17 B23R3.26139327 CN(C)CCNC1c2ccccc2CCc3ccccc31 Amb22446491 [0,1,0,0,0,0|1,0,1]=3 18 B23R3.26139327 CN(C)CC\C=C\1/c2ccccc2COc3ccccc31 Amb22233544 [0,1,0,0,0,0|1,0,0]=2 19 B23R3.26139327 CN(C)CC\C=C\1/c2ccccc2COc3ccccc31 Amb22729577 [0,1,0,0,0,0|1,0,0]=2 20 B23R3.26139327 CN(C)CC\C=C\1/c2ccccc2CSc3ccccc31 Amb22729272 [0,1,0,0,0,0|1,0,0]=2 21 B23R3.26139327 CN(C)CC\C=C\1/c2ccccc2CSc3ccccc31 Amb22733111 [0,1,0,0,0,0|1,0,0]=2 22 B23R3.26139327 CN(CCCN1c2ccccc2CCc3c1cccc3)C Amb2444037 [0,1,0,0,0,0|1,0,1]=3 23 B23R3.26139327 CN(CC\C=C\1/c2ccccc2OCc3c1cccc3)C Amb10843677 [0,1,0,0,0,0|1,0,0]=2 24 B23R3.26139327 C[NH+](C)CC\C=C\1/c2ccccc2COc3ccccc31 Amb21935689 [0,1,0,0,0,0|1,0,1]=3 25 B23R3.26139327 OC(=O)CCC=C1c2ccccc2CCc3c1cccc3 Amb16227976 [0,1,0,0,0,0|2,0,0]=3 26 B23R3.26139327 [13CH3]N([13CH2]CC=C1c2ccccc2CCc3c1cccc3)[13CH3] Amb17608345 [0,1,0,0,0,0|0,0,0]=1 27 B23R3.38836458 CNCCCN1c2ccccc2CCc3c1cc(Cl)cc3 Amb17612162 [0,1,0,0,0,0|1,0,1]=3 28 B23R3.38836458 CNCC\C=C\1/c2ccccc2COc3ccc(Cl)cc31 Amb22442696 [0,1,0,0,0,0|1,0,0]=2 29 B23R3.153679454 CNCC\C=C/1\c2ccccc2CC(c3c1cccc3)O Amb17615650 [0,1,0,0,0,0|0,0,0]=1 30 B23R3.153679454 CNCC\C=C\1/c2ccccc2CC(O)c3ccccc31 Amb19132676 [0,1,0,0,0,0|0,0,0]=1 31 B23R3.237256451 CNCCCC1(O)c2ccccc2CSc3ccccc13 Amb24309767 [0,1,0,0,0,0|1,0,2]=4 32 B21R2.14087 CNCCNCc1ccccc1OCc2ccccc2 Amb24785757 [0,0,1,0,0,0|2,0,1]=4 33 B21R3.8069667 CNCCCN1c2ccccc2Oc3ccccc13 Amb22481415 [0,0,0,0,1,0|2,0,1]=4 34 B21R3.8069667 CNCCCN1c2ccccc2Sc3ccccc13 Amb22464042 [0,0,0,0,1,0|2,0,1]=4 35 B20R2.3566 CNCCNc1ccccc1OCc2ccccc2 Amb19966334 [1,0,1,0,0,0|2,0,0]=4 36 B20R2.21885 CNCCOC(c1ccccc1C)c2ccccc2 Amb17597075 [1,0,1,0,0,0|1,0,1]=4 37 B20R3.178278 C=CC=C1c2ccccc2CCc3ccccc31 Amb24089233 [2,0,0,0,0,0|0,0,2]=4 38 B20R3.178278 CNCC1c2ccccc2CCc3ccccc31 Amb24309775 [2,0,0,0,0,0|0,0,1]=3 39 B20R3.178278 CNCC1c2ccccc2CSc3ccccc31 Amb24309845 [2,0,0,0,0,0|1,0,1]=4 40 B22R2.1877 CNCCNC(=O)c1ccccc1CCc2ccccc2 Amb25581947 [0,1,1,0,0,0|1,0,0]=3 41 B22R2.1877 COCCNC(=O)c1ccccc1CCc2ccccc2 Amb2557957 [0,1,1,0,0,0|2,0,0]=4 42 B22R3.12307660 NC(=O)C\C=C/1\c2ccccc2CSc3ccccc31 Amb24309861 [1,1,0,0,0,0|1,0,1]=4 43 B22R3.13446522 CNCC(C)N1c2ccccc2CCc3ccccc13 Amb22453059 [1,1,0,0,0,0|1,0,0]=3 44 B22R3.14119318 BrCC\C=C/1\c2ccccc2CC(=O)c3c1cccc3 Amb17610081 [1,1,0,0,0,0|1,0,1]=4 45 B22R3.14119318 BrCC\C=C/1\c2ccccc2CC(c3c1cccc3)O Amb17610082 [1,1,0,0,0,0|1,0,0]=3 46 B22R3.14119318 OCC\C=C\1/c2ccccc2C(=O)Cc3ccccc13 Amb19131841 [1,1,0,0,0,0|1,0,1]=4 47 B22R3.15879546 CNC(=O)CC1c2ccccc2CCc3c1cccc3 Amb10986825 [1,1,0,0,0,0|0,0,2]=4 48 B24R3.2438581 CN(C)CC\C=C\1/c2ccccc2COc3cc(O)ccc31 Amb19132587 [0,2,0,0,0,0|1,0,0]=3 49 B24R3.2438581 CN(CCCN1c2ccccc2CCc3c1ccc(c3)O)C Amb17615436 [0,2,0,0,0,0|1,0,1]=4 50 B24R3.2438581 CN(CC\C=C\1/c2ccccc2OCc3c1ccc(c3)O)C Amb17615325 [0,2,0,0,0,0|1,0,0]=3 51 B24R3.32966772 CNCC(C)CN1c2ccccc2CCc3cc(O)ccc13 Amb22055420 [0,2,0,0,0,0|1,0,1]=4 52 B24R3.115675198 CC(CC1c2ccccc2CCc3ccccc31)CN(C)C Amb22732310 [0,2,0,0,0,0|0,0,2]=4 53 B24R3.115675198 CN(C)CC(C)CN1c2ccccc2CCc3ccccc13 Amb22352116 [0,2,0,0,0,0|1,0,1]=4 54 B24R3.115675198 CN(C)CC(C)CN1c2ccccc2CCc3ccccc13 Amb24122678 [0,2,0,0,0,0|1,0,1]=4 55 B24R3.115675198 CN(CC(CC1c2ccccc2CCc3c1cccc3)C)C Amb17610138 [0,2,0,0,0,0|0,0,2]=4 56 B24R3.115675198 CN(CC(CN1c2ccccc2CCc3c1cccc3)C)C Amb10843746 [0,2,0,0,0,0|1,0,1]=4 57 B24R3.40764905 CN(CC\C=C\1/c2ccccc2COc3ccccc31)C=O Amb19131660 [0,2,0,0,0,0|1,0,0]=3 58 B24R3.118819978 CN(C)CC\C=C/1\c2cc(Cl)ccc2COc3ccccc31 Amb22479460 [0,2,0,0,0,0|1,0,0]=3 59 B24R3.118819978 CN(C)CC\C=C/1\c2ccccc2COc3ccc(Cl)cc31 Amb22455663 [0,2,0,0,0,0|1,0,0]=3 60 B24R3.118819978 CN(C)CC\C=C\1/c2cc(F)ccc2CSc3ccccc31 Amb22000151 [0,2,0,0,0,0|1,0,0]=3 61 B24R3.118819978 CN(C)CC\C=C\1/c2ccccc2COc3ccc(O)cc31 Amb19132586 [0,2,0,0,0,0|1,0,0]=3 62 B24R3.118819978 CN(CC\C=C/1\c2ccccc2C=Cc3c1cc(O)cc3)C Amb17615264 [0,2,0,0,0,0|0,0,2]=4 63 B24R3.218520876 CN(C)CC\C=C/1\c2ccccc2CC(O)c3ccccc31 Amb24310098 [0,2,0,0,0,0|0,0,0]=2 64 B24R3.218520876 CN(C)CC\C=C/1\c2ccccc2CS(=O)c3ccccc31 Amb22000099 [0,2,0,0,0,0|1,0,0]=3 65 B24R3.218520876 CN(CC\C=C/1\c2ccccc2CC(c3c1cccc3)O)C Amb17615136 [0,2,0,0,0,0|0,0,0]=2 66 B24R3.1505225918 C[N+](C)([O-])CCC=C1c2ccccc2CCc3ccccc31 Amb22731687 [0,2,0,0,0,0|0,0,1]=3 67 B24R3.1505225918 C[N+](C)([O-])CC\C=C\1/c2ccccc2COc3ccccc31 Amb19132050 [0,2,0,0,0,0|1,0,1]=4 68 B24R3.252558763 CNCCCC1c2ccccc2C(C(c3c1cccc3)O)O Amb17612935 [0,2,0,0,0,0|0,0,2]=4 69 B24R3.252558763 CNCC\C=C\1/c2ccccc2[C@@H]([C@@H](c3c1cccc3)O)O Amb17613079 [0,2,0,0,0,0|0,0,0]=2 70 B22R3.1038 CNCCc1nc2c(n1Cc3ccccc3)cccc2 Amb17092598 [0,0,1,1,0,0|2,0,0]=4 71 B24R4.6573729 C1CNCCC1=C2c3ccccc3C=Cc4ccccc42 Amb20670867 [0,1,0,1,0,0|0,0,2]=4 72 B24R4.411822155 CN(C)Cc1c[n]-2c3c1cccc3CCc4ccccc24 Amb22442770 [0,1,0,1,0,0|1,0,1]=4 73 B20R3.368533 CCCCc1c2ccccc2cc3ccccc31 Amb22734622 [1,0,0,0,1,0|0,0,2]=4