0 B18R3.4953944 CC1=CC2=C(C=C1)N(C3=C2CCCC3N)C MCULE-5941422177 [0,0,0,0,0,0|1,0,0]=1 1 B18R3.4953944 CC1=CC2=C(C=C1)N(C3=C2CCCC3O)C MCULE-2686684392 [0,0,0,0,0,0|0,0,0]=0 2 B18R3.4953944 CC1=CC=C2C(=C1)C3=C(N2C)C(=O)CCC3 MCULE-1720987639 [0,0,0,0,0,0|0,0,2]=2 3 B18R3.4953944 CN1C2=C(C=C(C=C2)Br)C3=C1C(=O)CCC3 MCULE-1243594793 [0,0,0,0,0,0|1,0,2]=3 4 B18R3.4953944 CN1C2=C(C=C(C=C2)F)C3=C1C(=O)CCC3 MCULE-2408364065 [0,0,0,0,0,0|1,0,2]=3 5 B18R3.4953944 [C@H]1(CCCC2=C1N(C3=C2C=C(C=C3)C)C)O MCULE-3383141575 [0,0,0,0,0,0|0,0,0]=0 6 B17R3.31713 CC1=CC2=C(C=C1)N(C3=NCCCN23)C MCULE-7158647569 [1,0,0,0,0,0|2,0,0]=3 7 B17R3.31713 CC1=CC2=C(C=C1)N(C3=NCCCN23)C MCULE-8361992036 [1,0,0,0,0,0|2,0,0]=3 8 B17R3.31713 CN1C2=C(C=C(C=C2)O)C3=C1CCCC3 MCULE-8677391747 [1,0,0,0,0,0|1,0,0]=2 9 B17R3.31713 CN1C2=CC=C(C=C2C3=C1CCCC3)Br MCULE-6874624962 [1,0,0,0,0,0|1,0,0]=2 10 B17R3.31713 CN1C2=CC=C(C=C2C3=C1CCNC3)Br MCULE-9209256460 [1,0,0,0,0,0|2,0,0]=3 11 B17R3.31713 CN1C2=CC=C(C=C2C3=C1CCNC3)F MCULE-6674344822 [1,0,0,0,0,0|2,0,0]=3 12 B17R3.51174 CN1C2=C(C=CC=C2)C3=C1C(=O)CCC3 MCULE-5123939235 [1,0,0,0,0,0|0,0,2]=3 13 B17R3.284867 CC1=CC2=C(C=C1)NC3=C2CCCC3N MCULE-5069546885 [1,0,0,0,0,0|1,0,0]=2 14 B17R3.284867 CC1=CC2=C(C=C1)NC3=C2CCCC3O MCULE-1977019762 [1,0,0,0,0,0|0,0,0]=1 15 B17R3.284867 CC1=CC=C2NC3=C(C2=C1)CCCC3=O MCULE-6788319029 [1,0,0,0,0,0|0,0,2]=3 16 B17R3.284867 CC1=CC=C2NC3=C(C2=C1)CCNC3=O MCULE-2557569732 [1,0,0,0,0,0|1,0,2]=4 17 B17R3.284867 NC1=CC=C2NC3=C(C2=C1)CCCC3=O MCULE-6876600633 [1,0,0,0,0,0|1,0,2]=4 18 B17R3.284867 NC1CCCC2=C1NC3=C2C=C(C=C3)Br MCULE-4161297277 [1,0,0,0,0,0|2,0,0]=3 19 B17R3.284867 NC1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-1247300346 [1,0,0,0,0,0|2,0,0]=3 20 B17R3.284867 NC1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-3323101224 [1,0,0,0,0,0|2,0,0]=3 21 B17R3.284867 NC1CCCC2=C1NC3=CC=C(C=C23)F MCULE-8497621016 [1,0,0,0,0,0|2,0,0]=3 22 B17R3.284867 O=C1CCCC2=C1NC3=C2C=C(C=C3)Br MCULE-4813662071 [1,0,0,0,0,0|1,0,2]=4 23 B17R3.284867 O=C1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-3890355112 [1,0,0,0,0,0|1,0,2]=4 24 B17R3.284867 O=C1CCCC2=C1NC3=C2C=C(C=C3)F MCULE-5148930600 [1,0,0,0,0,0|1,0,2]=4 25 B17R3.284867 OC1CCCC2=C1NC3=C2C=C(C=C3)Br MCULE-7318775878 [1,0,0,0,0,0|1,0,0]=2 26 B17R3.284867 OC1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-4561789282 [1,0,0,0,0,0|1,0,0]=2 27 B17R3.284867 [C@H]1(CCCC2=C1NC3=C2C=C(C=C3)C)O MCULE-4713401783 [1,0,0,0,0,0|0,0,0]=1 28 B19R3.1250391 C1(CCCC2=C1N(C3=C2C=C(C=C3)C)C)C#N MCULE-5283704423 [0,1,0,0,0,0|1,0,0]=2 29 B19R3.1250391 CC1=CC2=C(C=C1)N(C3=C2CCCC3=NO)C MCULE-8151514902 [0,1,0,0,0,0|0,0,1]=2 30 B19R3.1250391 CN1C2=C(C=C(C=C2)Cl)C3=C1C(CCC3)C#N MCULE-7781518457 [0,1,0,0,0,0|2,0,0]=3 31 B19R3.1250391 CNC1CCCC2=C1N(C3=C2C=C(C=C3)Cl)C MCULE-8427363007 [0,1,0,0,0,0|2,0,0]=3 32 B19R3.1250391 CNC1CCCC2=C1N(C3=C2C=C(C=C3)Cl)C MCULE-8708792065 [0,1,0,0,0,0|2,0,0]=3 33 B19R3.3012807 CC1=CC2=C(C(=C1)C)N(C3=C2CCCC3=O)C MCULE-5249280987 [0,1,0,0,0,0|0,0,2]=3 34 B19R3.6087251 CCN1C2=C(C=C(C=C2)Br)C3=C1C(=O)CCC3 MCULE-3125095373 [0,1,0,0,0,0|1,0,2]=4 35 B19R3.6087251 CCN1C2=C(C=C(C=C2)Br)C3=C1C(CCC3)O MCULE-5635428221 [0,1,0,0,0,0|1,0,0]=2 36 B19R3.6087251 CCN1C2=C(C=C(C=C2)C)C3=C1C(=O)CCC3 MCULE-6912210559 [0,1,0,0,0,0|0,0,2]=3 37 B19R3.6087251 CCN1C2=C(C=C(C=C2)Cl)C3=C1C(=O)CCC3 MCULE-1434662236 [0,1,0,0,0,0|1,0,2]=4 38 B19R3.6087251 CCN1C2=C(C=C(C=C2)F)C3=C1C(=O)CCC3 MCULE-5318207185 [0,1,0,0,0,0|1,0,2]=4 39 B16R2.1129 CC1=CC=C(C=C1)NC2CCCCC2O MCULE-4300932105 [1,0,1,0,0,0|0,0,2]=4 40 B16R2.757 CCCC(O)C1=NC2=CC=CC=C2N1C MCULE-7738582156 [1,0,1,0,0,0|1,0,0]=3 41 B16R2.98486 CC1=CC2=C(C=C1)N(C(=C2C)C(=O)O)C MCULE-9066627976 [1,0,1,0,0,0|1,0,1]=4 42 B16R2.11036 CCC1=C(NC2=C1C=C(C=C2)C)C(=O)O MCULE-5420640612 [1,0,1,0,0,0|1,0,1]=4 43 B16R2.205493 ClCCCCC1=CNC2=C1C=C(C=C2)Br MCULE-5803154340 [1,0,1,0,0,0|2,0,0]=4 44 B16R2.205493 OCCCCC1=CNC2=C1C=C(C=C2)F MCULE-5985183763 [1,0,1,0,0,0|1,0,0]=3 45 B16R3.2583 BrC1=CC2=C(C=C1)NC3=C2CCCC3 MCULE-3466108861 [2,0,0,0,0,0|1,0,0]=3 46 B16R3.2583 BrC1=CC2=C(C=C1)NC3=C2CNCC3 MCULE-1742487907 [2,0,0,0,0,0|2,0,0]=4 47 B16R3.2583 BrC1=CC2=C(C=C1)NC3=C2CSCC3 MCULE-3232034985 [2,0,0,0,0,0|2,0,0]=4 48 B16R3.2583 BrC1=CC=C2NC3=C(C2=C1)CCNC3 MCULE-4471938661 [2,0,0,0,0,0|2,0,0]=4 49 B16R3.2583 BrC1=CC=C2NC3=C(C2=C1)CNCC3 MCULE-4974314572 [2,0,0,0,0,0|2,0,0]=4 50 B16R3.2583 CC1=CC2=C(C=C1)NC3=C2CCCC3 MCULE-4548111260 [2,0,0,0,0,0|0,0,0]=2 51 B16R3.2583 CC1=CC2=C(C=C1)NC3C2CCCC3 MCULE-5514606635 [2,0,0,0,0,0|0,0,2]=4 52 B16R3.2583 CC1=CC=C2NC3=C(C2=C1)CCNC3 MCULE-8655177500 [2,0,0,0,0,0|1,0,0]=3 53 B16R3.2583 CC1=CC=C2NC3=C(C2=C1)CCNC3 MCULE-9115853836 [2,0,0,0,0,0|1,0,0]=3 54 B16R3.2583 CC1=CC=C2NC3=C(C2=C1)CNCC3 MCULE-8410342784 [2,0,0,0,0,0|1,0,0]=3 55 B16R3.2583 ClC1=CC2=C(C=C1)NC3=C2CCNC3 MCULE-5539551203 [2,0,0,0,0,0|2,0,0]=4 56 B16R3.2583 ClC1=CC2=C(C=C1)NC3=C2CNCC3 MCULE-3218499889 [2,0,0,0,0,0|2,0,0]=4 57 B16R3.2583 ClC1=CC=C2NC3=C(C2=C1)CCCC3 MCULE-3292887439 [2,0,0,0,0,0|1,0,0]=3 58 B16R3.2583 ClC1=CC=C2NC3=C(C2=C1)CCNC3 MCULE-8719392985 [2,0,0,0,0,0|2,0,0]=4 59 B16R3.2583 ClC1=CC=C2NC3=C(C2=C1)CNCC3 MCULE-4325384592 [2,0,0,0,0,0|2,0,0]=4 60 B16R3.2583 FC1=CC2=C(C=C1)NC3=C2CCCC3 MCULE-6953186875 [2,0,0,0,0,0|1,0,0]=3 61 B16R3.2583 FC1=CC2=C(C=C1)NC3=C2CCNC3 MCULE-4207991202 [2,0,0,0,0,0|2,0,0]=4 62 B16R3.2583 FC1=CC=C2NC3=C(C2=C1)CNCC3 MCULE-1623986723 [2,0,0,0,0,0|2,0,0]=4 63 B16R3.2583 FC1=CC=C2NC3=C(C2=C1)CNCC3 MCULE-5283144672 [2,0,0,0,0,0|2,0,0]=4 64 B16R3.2583 N1C2=CC=C(C=C2C3=C1CCNC3)C MCULE-7108945953 [2,0,0,0,0,0|1,0,0]=3 65 B16R3.2583 NC1=CC2=C(C=C1)NC3=C2CSCC3 MCULE-3165511074 [2,0,0,0,0,0|2,0,0]=4 66 B16R3.2583 NC1=CC2=C(C=C1)OC3=C2CCCC3 MCULE-1315904997 [2,0,0,0,0,0|2,0,0]=4 67 B16R3.2583 NC1=CC2=C(C=C1)OC3=C2CCCC3 MCULE-3831614527 [2,0,0,0,0,0|2,0,0]=4 68 B16R3.2583 NC1=CC=C2NC3=C(C2=C1)CCCC3 MCULE-9232817150 [2,0,0,0,0,0|1,0,0]=3 69 B16R3.2583 OC1=CC2=C(C=C1)NC3=C2CCNC3 MCULE-2794805192 [2,0,0,0,0,0|2,0,0]=4 70 B16R3.2583 OC1=CC2=C(C=C1)OC3=C2CCCC3 MCULE-5671976673 [2,0,0,0,0,0|2,0,0]=4 71 B16R3.20606 CN1C2=C(C=CC=C2)C3=C1CCNC3 MCULE-8242540915 [2,0,0,0,0,0|1,0,0]=3 72 B16R3.20606 CN1C2=C(C=CC=C2)C3=C1CNCC3 MCULE-1480707720 [2,0,0,0,0,0|1,0,0]=3 73 B16R3.20606 CN1C2=NCCCN2C3=C1C=CC=C3 MCULE-9280978026 [2,0,0,0,0,0|2,0,0]=4 74 B16R3.20606 CN1C2=[NH+]CCCN2C3=C1C=CC=C3 MCULE-5896636885 [2,0,0,0,0,0|2,0,0]=4 75 B16R3.3329 CC1NCCC2=C1NC3=C2C=CC=C3 MCULE-3839421650 [2,0,0,0,0,0|2,0,0]=4 76 B16R3.3329 CC1NCCC2=C1NC3=CC=CC=C23 MCULE-3287499983 [2,0,0,0,0,0|2,0,0]=4 77 B16R3.3329 NC1CCCC2=C1NC3=C2C=CC=C3 MCULE-3493050433 [2,0,0,0,0,0|1,0,0]=3 78 B16R3.3329 NC1CCCC2=C1NC3=C2C=CC=C3 MCULE-5554185141 [2,0,0,0,0,0|1,0,0]=3 79 B16R3.3329 O=C1CCCC2=C1NC3=C2C=CC=C3 MCULE-8165438115 [2,0,0,0,0,0|0,0,2]=4 80 B16R3.3329 OC1CCCC2=C1NC3=CC=CC=C23 MCULE-8096623094 [2,0,0,0,0,0|0,0,0]=2 81 B18R2.123754 CCCNC(=O)C1=CC2=CC(=CC=C2N1C)C MCULE-7995664071 [0,1,1,0,0,0|0,0,2]=4 82 B18R3.174451 COC1=CC=C2C(=C1)C3=C(N2C)CCNC3 MCULE-9883416188 [1,1,0,0,0,0|1,0,0]=3 83 B18R3.153046 CN1C2=C(C=CC=C2)C3=C1C(=NO)CCC3 MCULE-3848523896 [1,1,0,0,0,0|0,0,1]=3 84 B18R3.152976 CC1=CC2=C(C=C1)NC3=C2CCCC3C#N MCULE-2327080054 [1,1,0,0,0,0|1,0,0]=3 85 B18R3.152976 CC1=CC=C2NC3=C(C2=C1)CCCC3=NO MCULE-2014142766 [1,1,0,0,0,0|0,0,1]=3 86 B18R3.152976 CC1=CC=C2NC\3=C(C2=C1)CCC/C3=N/O MCULE-4269535746 [1,1,0,0,0,0|0,0,1]=3 87 B18R3.152976 CNC1CCCC2=C1NC3=C2C=C(C=C3)C MCULE-4034583250 [1,1,0,0,0,0|1,0,0]=3 88 B18R3.152976 N#CC1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-5126191923 [1,1,0,0,0,0|2,0,0]=4 89 B18R3.152976 N#CC1CCCC2=C1NC3=CC=C(C=C23)Br MCULE-2051254280 [1,1,0,0,0,0|2,0,0]=4 90 B18R3.152976 NCC1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-7592702516 [1,1,0,0,0,0|2,0,0]=4 91 B18R3.152976 NCC1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-8329217782 [1,1,0,0,0,0|2,0,0]=4 92 B18R3.152976 ON=C1CCCC2=C1NC3=C2C=C(C=C3)Br MCULE-6652573992 [1,1,0,0,0,0|1,0,1]=4 93 B18R3.152976 ON=C1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-4205213888 [1,1,0,0,0,0|1,0,1]=4 94 B18R3.152976 [C@H]1(CCCC2=C1NC3=C2C=C(C=C3)C)CN MCULE-2612542166 [1,1,0,0,0,0|1,0,0]=3 95 B18R3.825098 CC1=CC2=C(NC3=C2CCCC3=O)C(=C1)Br MCULE-8770146224 [1,1,0,0,0,0|0,0,2]=4 96 B18R3.825098 CC1=CC2=C(NC3=C2CCCC3=O)C(=C1)C MCULE-6728280498 [1,1,0,0,0,0|0,0,2]=4 97 B18R3.825098 CC1=CC2=C(NC3=C2CCCC3=O)C(=C1)Cl MCULE-3355629032 [1,1,0,0,0,0|0,0,2]=4 98 B18R3.825098 CC1=CC2=C(NC3=C2CCCC3O)C(=C1)C MCULE-6667837418 [1,1,0,0,0,0|0,0,0]=2 99 B18R3.1397905 CCC1=CC2=C(C=C1)NC3=C2CCCC3=O MCULE-7169137353 [1,1,0,0,0,0|0,0,2]=4 100 B18R3.1397905 CCC1=CC2=C(C=C1)NC3=C2CCCC3O MCULE-9757183828 [1,1,0,0,0,0|0,0,0]=2 101 B18R3.1397905 COC1=CC2=C(C=C1)NC3=C2CCCC3=O MCULE-5751871262 [1,1,0,0,0,0|0,0,2]=4 102 B18R3.1397905 COC1=CC2=C(C=C1)NC3=C2CCNC3C MCULE-5422247996 [1,1,0,0,0,0|2,0,0]=4 103 B18R3.1397905 COC1=CC=C2NC3=C(C2=C1)CCCC3N MCULE-5390973887 [1,1,0,0,0,0|1,0,0]=3 104 B18R3.1397905 [C@H]1(NCCC2=C1NC3=C2C=C(C=C3)OC)C MCULE-2370256200 [1,1,0,0,0,0|2,0,0]=4 105 B20R3.948248 CCN1C2=C(C=C(C=C2)Br)C3=C1C(=NO)CCC3 MCULE-6392894438 [0,2,0,0,0,0|1,0,1]=4 106 B20R3.948248 CCN1C2=C(C=C(C=C2)Cl)C3=C1/C(=N/O)/CCC3 MCULE-9091994278 [0,2,0,0,0,0|1,0,1]=4 107 B20R3.948248 CCN1C2=C(C=C(C=C2)Cl)C3=C1C(=NO)CCC3 MCULE-6529847202 [0,2,0,0,0,0|1,0,1]=4 108 B20R3.15087993 CC1=CC2=C(C=C1)N(C3=C2CCCC3C(=O)N)C MCULE-6872625087 [0,2,0,0,0,0|0,0,1]=3 109 B20R3.4429956 CC(=O)C1=CC2=C(C=C1)N(C3=C2CCCC3=O)C MCULE-2227123932 [0,2,0,0,0,0|0,0,2]=4 110 B20R3.4429956 CC(C)C1=CC2=C(C=C1)N(C3=C2CCCC3=O)C MCULE-2320817772 [0,2,0,0,0,0|0,0,2]=4 111 B20R3.3541504 CC1=CC2=C(C=C1)N(C3=C2CCCC3=O)CC#N MCULE-2091620008 [0,2,0,0,0,0|0,0,2]=4 112 B20R3.3541504 CC1=CC2=C(C=C1)N(C3=C2CCCC3=O)CCBr MCULE-2538258764 [0,2,0,0,0,0|0,0,2]=4 113 B20R3.3541504 CC1=CC2=C(C=C1)N(C3=C2CCCC3=O)CCCl MCULE-3683145413 [0,2,0,0,0,0|0,0,2]=4 114 B20R4.2858621 BrC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-7279596906 [0,1,0,1,0,0|2,0,0]=4 115 B20R4.2858621 BrC1=CC2=C(C=C1)N3CC[NH2+]C4C3=C2CCC4 MCULE-5010155954 [0,1,0,1,0,0|2,0,0]=4 116 B20R4.2858621 CC1=CC2=C(C=C1)N3C=CNC4C3=C2CCC4 MCULE-7157207343 [0,1,0,1,0,0|1,0,1]=4 117 B20R4.2858621 CC1=CC2=C(C=C1)N3C=CNC4C3=C2CCC4 MCULE-9066664088 [0,1,0,1,0,0|1,0,1]=4 118 B20R4.2858621 CC1=CC2=C(C=C1)N3CCN=C4C3=C2CCC4 MCULE-5978323378 [0,1,0,1,0,0|1,0,1]=4 119 B20R4.2858621 CC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-5189489557 [0,1,0,1,0,0|1,0,0]=3 120 B20R4.2858621 CC1=CC2=C(C=C1)N3CC[NH+]=C4C3=C2CCC4 MCULE-1924180376 [0,1,0,1,0,0|1,0,1]=4 121 B20R4.2858621 CC1=CC2=C(C=C1)N3CC[NH2+]C4C3=C2CCC4 MCULE-5767165586 [0,1,0,1,0,0|1,0,0]=3 122 B20R4.2858621 CC1=CC2=C(C=C1)N3CNCC4C3=C2CCC4 MCULE-6640009773 [0,1,0,1,0,0|1,0,0]=3 123 B20R4.2858621 CC1=CC2=C(C=C1)N3C[NH2+]CC4C3=C2CCC4 MCULE-6331986101 [0,1,0,1,0,0|1,0,0]=3 124 B20R4.2858621 CC1=CC=C2C(=C1)C3=C4N2CCNC4CCC3 MCULE-7179575512 [0,1,0,1,0,0|1,0,0]=3 125 B20R4.2858621 CC1=CC=C2C(=C1)C3=C4N2CCN[C@@H]4CCC3 MCULE-2349903943 [0,1,0,1,0,0|1,0,0]=3 126 B20R4.2858621 CC1=CC=C2C(=C1)C3=C4N2CCN[C@@H]4CCC3 MCULE-4425011529 [0,1,0,1,0,0|1,0,0]=3 127 B20R4.2858621 ClC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-2396769605 [0,1,0,1,0,0|2,0,0]=4 128 B20R4.2858621 ClC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-6178232278 [0,1,0,1,0,0|2,0,0]=4 129 B20R4.2858621 FC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-6158012960 [0,1,0,1,0,0|2,0,0]=4 130 B20R4.2858621 FC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-7339995855 [0,1,0,1,0,0|2,0,0]=4 131 B20R4.2858621 NC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-8482930137 [0,1,0,1,0,0|2,0,0]=4 132 B20R4.2858621 NC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-9950364123 [0,1,0,1,0,0|2,0,0]=4 133 B20R4.2858621 OC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-6965684724 [0,1,0,1,0,0|2,0,0]=4 134 B20R4.2858621 OC1=CC2=C(C=C1)N3CC[NH2+]C4C3=C2CCC4 MCULE-1258962991 [0,1,0,1,0,0|2,0,0]=4 135 B16R2.7730 COC1=CC=C(C=C1C2CCCC2O)C MCULE-1185743976 [0,0,1,0,1,0|1,0,1]=4 136 B16R2.7730 COC1=CC=C(C=C1[C@H]2CCC[C@@H]2O)C MCULE-7306858435 [0,0,1,0,1,0|1,0,1]=4 137 B16R3.18394 CC1=CC2=C(C=C1)NC3=C2CCC3=O MCULE-5006516462 [1,0,0,0,1,0|0,0,2]=4 138 B16R3.18394 CC1=CC2=C(C=C1)NC3=C2CCC3O MCULE-8846829529 [1,0,0,0,1,0|0,0,0]=2 139 B18R3.5898 NC1=C2C(=NC3=CC=CC=C13)CCCC2O MCULE-1179284159 [1,0,0,0,0,1|2,0,0]=4 140 B18R3.5898 NC1=C2C(=NC3=CC=CC=C13)CCCC2O MCULE-2034390696 [1,0,0,0,0,1|2,0,0]=4 141 B18R3.5898 NC1=C2C(=NC3=CC=CC=C13)CCCC2O MCULE-4228003322 [1,0,0,0,0,1|2,0,0]=4 142 B18R3.570445 CC1=CC2=C(C=C1)NC3=C2CCCCC3O MCULE-1359184729 [1,0,0,0,0,1|0,0,0]=2 143 B18R3.570445 NC1CCCCC2=C1NC3=C2C=C(C=C3)Br MCULE-1491894859 [1,0,0,0,0,1|2,0,0]=4