0 B20R4.2858621 BrC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-7279596906 [0,0,0,0,0,0|1,0,0]=1 1 B20R4.2858621 BrC1=CC2=C(C=C1)N3CC[NH2+]C4C3=C2CCC4 MCULE-5010155954 [0,0,0,0,0,0|1,0,1]=2 2 B20R4.2858621 CC1=CC2=C(C=C1)N3C=CN=C4C3=C2CCC4 MCULE-5418776837 [0,0,0,0,0,0|0,0,4]=4 3 B20R4.2858621 CC1=CC2=C(C=C1)N3C=CNC4C3=C2CCC4 MCULE-7157207343 [0,0,0,0,0,0|0,0,2]=2 4 B20R4.2858621 CC1=CC2=C(C=C1)N3C=CNC4C3=C2CCC4 MCULE-9066664088 [0,0,0,0,0,0|0,0,2]=2 5 B20R4.2858621 CC1=CC2=C(C=C1)N3C=C[NH+]=C4C3=C2CCC4 MCULE-1424371741 [0,0,0,0,0,0|0,0,4]=4 6 B20R4.2858621 CC1=CC2=C(C=C1)N3CCN=C4C3=C2CCC4 MCULE-5978323378 [0,0,0,0,0,0|0,0,2]=2 7 B20R4.2858621 CC1=CC2=C(C=C1)N3CCNC4=CC=CC2=C34 MCULE-6569261476 [0,0,0,0,0,0|0,0,4]=4 8 B20R4.2858621 CC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-5189489557 [0,0,0,0,0,0|0,0,0]=0 9 B20R4.2858621 CC1=CC2=C(C=C1)N3CC[NH+]=C4C3=C2CCC4 MCULE-1924180376 [0,0,0,0,0,0|0,0,2]=2 10 B20R4.2858621 CC1=CC2=C(C=C1)N3CC[NH2+]C4C3=C2CCC4 MCULE-5767165586 [0,0,0,0,0,0|0,0,1]=1 11 B20R4.2858621 CC1=CC2=C(C=C1)N3CNCC4C3=C2CCC4 MCULE-6640009773 [0,0,0,0,0,0|2,0,0]=2 12 B20R4.2858621 CC1=CC2=C(C=C1)N3C[NH2+]CC4C3=C2CCC4 MCULE-6331986101 [0,0,0,0,0,0|2,0,0]=2 13 B20R4.2858621 CC1=CC=C2C(=C1)C3=C4N2CCNC4CCC3 MCULE-7179575512 [0,0,0,0,0,0|0,0,0]=0 14 B20R4.2858621 CC1=CC=C2C(=C1)C3=C4N2CCN[C@@H]4CCC3 MCULE-2349903943 [0,0,0,0,0,0|0,0,0]=0 15 B20R4.2858621 CC1=CC=C2C(=C1)C3=C4N2CCN[C@@H]4CCC3 MCULE-4425011529 [0,0,0,0,0,0|0,0,0]=0 16 B20R4.2858621 CC1=CC=C2C(=C1)C3CCCC4C3N2CCN4 MCULE-2973324245 [0,0,0,0,0,0|0,0,2]=2 17 B20R4.2858621 ClC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-2396769605 [0,0,0,0,0,0|1,0,0]=1 18 B20R4.2858621 ClC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-6178232278 [0,0,0,0,0,0|1,0,0]=1 19 B20R4.2858621 FC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-6158012960 [0,0,0,0,0,0|1,0,0]=1 20 B20R4.2858621 FC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-7339995855 [0,0,0,0,0,0|1,0,0]=1 21 B20R4.2858621 NC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-8482930137 [0,0,0,0,0,0|1,0,0]=1 22 B20R4.2858621 NC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-9950364123 [0,0,0,0,0,0|1,0,0]=1 23 B20R4.2858621 OC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-6965684724 [0,0,0,0,0,0|1,0,0]=1 24 B20R4.2858621 OC1=CC2=C(C=C1)N3CC[NH2+]C4C3=C2CCC4 MCULE-1258962991 [0,0,0,0,0,0|1,0,1]=2 25 B19R4.2108 C1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-8463701037 [1,0,0,0,0,0|0,0,0]=1 26 B19R4.2108 C1=CC2=C(C=C1)N3CC[NH2+]C4C3=C2CCC4 MCULE-8703961499 [1,0,0,0,0,0|0,0,1]=2 27 B21R4.1405333 CCC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-6559420502 [0,1,0,0,0,0|0,0,0]=1 28 B21R4.1405333 CCC1=CC2=C(C=C1)N3CC[NH2+]C4C3=C2CCC4 MCULE-1697418681 [0,1,0,0,0,0|0,0,1]=2 29 B21R4.1405333 COC1=CC2=C(C=C1)N3CCNC4=NCCC2=C34 MCULE-1319979298 [0,1,0,0,0,0|1,0,1]=3 30 B21R4.1405333 COC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-4870315498 [0,1,0,0,0,0|0,0,0]=1 31 B21R4.1405333 COC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-5025522184 [0,1,0,0,0,0|0,0,0]=1 32 B21R4.1405333 COC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-5455143271 [0,1,0,0,0,0|0,0,0]=1 33 B21R4.1405333 OCC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-5191773143 [0,1,0,0,0,0|0,0,0]=1 34 B21R4.1405333 OCC1=CC2=C(C=C1)N3CC[NH2+]C4C3=C2CCC4 MCULE-9827683573 [0,1,0,0,0,0|0,0,1]=2 35 B21R4.136607445 CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)N MCULE-5522806154 [0,1,0,0,0,0|0,0,0]=1 36 B21R4.136607445 CC1=CC2=C(C=C1)N3CC[NH+](C4C3=C2CCC4)N MCULE-2462202630 [0,1,0,0,0,0|0,0,1]=2 37 B19R3.126806 CC1=CC2=C(C=C1)NC3=C2CCCC3NC=O MCULE-6907849561 [0,0,1,0,0,0|1,0,1]=3 38 B19R3.126806 CCNC1CCCC2=C1NC3=C2C=C(C=C3)C MCULE-6354885903 [0,0,1,0,0,0|0,0,0]=1 39 B19R3.126806 CC[NH2+]C1CCCC2=C1NC3=C2C=C(C=C3)C MCULE-7800174764 [0,0,1,0,0,0|0,0,1]=2 40 B19R3.126806 O=CNC1CCCC2=C1NC3=C2C=C(C=C3)Br MCULE-1600220004 [0,0,1,0,0,0|2,0,1]=4 41 B19R3.126806 O=CNC1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-7667577025 [0,0,1,0,0,0|2,0,1]=4 42 B19R3.126806 O=CNC1CCCC2=C1NC3=C2C=C(C=C3)F MCULE-9675862096 [0,0,1,0,0,0|2,0,1]=4 43 B19R3.1250391 C1(CCCC2=C1N(C3=C2C=C(C=C3)C)C)C#N MCULE-5283704423 [0,0,1,0,0,0|2,0,0]=3 44 B19R3.1250391 CC1=CC2=C(C=C1)N(C3=C2CCCC3=NO)C MCULE-8151514902 [0,0,1,0,0,0|1,0,2]=4 45 B19R3.1250391 CN1C2=C(C=C(C=C2)Cl)C3=C1C(CCC3)C#N MCULE-7781518457 [0,0,1,0,0,0|3,0,0]=4 46 B19R3.1250391 CNC1CCCC2=C1N(C3=C2C=C(C=C3)Cl)C MCULE-8427363007 [0,0,1,0,0,0|1,0,0]=2 47 B19R3.1250391 CNC1CCCC2=C1N(C3=C2C=C(C=C3)Cl)C MCULE-8708792065 [0,0,1,0,0,0|1,0,0]=2 48 B19R3.6087251 CCN1C2=C(C=C(C=C2)Br)C3=C1C(=O)CCC3 MCULE-3125095373 [0,0,1,0,0,0|2,0,1]=4 49 B19R3.6087251 CCN1C2=C(C=C(C=C2)Br)C3=C1C(CCC3)O MCULE-5635428221 [0,0,1,0,0,0|2,0,0]=3 50 B19R3.6087251 CCN1C2=C(C=C(C=C2)C)C3=C1C(=O)CCC3 MCULE-6912210559 [0,0,1,0,0,0|1,0,1]=3 51 B19R3.6087251 CCN1C2=C(C=C(C=C2)Cl)C3=C1C(=O)CCC3 MCULE-1434662236 [0,0,1,0,0,0|2,0,1]=4 52 B19R3.6087251 CCN1C2=C(C=C(C=C2)F)C3=C1C(=O)CCC3 MCULE-5318207185 [0,0,1,0,0,0|2,0,1]=4 53 B21R4.29163171 CC1=CC2=C(C=C1)N3CCCN=C4C3=C2CCC4 MCULE-9455991890 [0,0,0,0,0,1|0,0,2]=3 54 B21R4.29163171 CC1=CC2=C(C=C1)N3CCCNC4C3=C2CCC4 MCULE-6563517548 [0,0,0,0,0,1|0,0,0]=1 55 B21R4.29163171 CC1=CC2=C(C=C1)N3CCC[NH+]=C4C3=C2CCC4 MCULE-2984841302 [0,0,0,0,0,1|0,0,2]=3 56 B21R4.29163171 CC1=CC2=C(C=C1)N3CCC[NH2+]C4C3=C2CCC4 MCULE-1330420735 [0,0,0,0,0,1|0,0,1]=2 57 B18R3.68117 NCCN1C2=C(C=CC=C2)C3=C1CCCC3 MCULE-7824097412 [1,0,1,0,0,0|0,0,0]=2 58 B18R3.68117 NCCN1C2=CC=CC=C2C3=C1CCCC3 MCULE-5517015616 [1,0,1,0,0,0|0,0,0]=2 59 B18R3.5244 O=CNC1CCCC2=C1NC3=C2C=CC=C3 MCULE-1273107676 [1,0,1,0,0,0|1,0,1]=4 60 B18R3.152976 CC1=CC2=C(C=C1)NC3=C2CCCC3C#N MCULE-2327080054 [1,0,1,0,0,0|1,0,1]=4 61 B18R3.152976 CNC1CCCC2=C1NC3=C2C=C(C=C3)C MCULE-4034583250 [1,0,1,0,0,0|0,0,0]=2 62 B18R3.152976 NCC1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-7592702516 [1,0,1,0,0,0|2,0,0]=4 63 B18R3.152976 NCC1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-8329217782 [1,0,1,0,0,0|2,0,0]=4 64 B18R3.152976 [C@H]1(CCCC2=C1NC3=C2C=C(C=C3)C)CN MCULE-2612542166 [1,0,1,0,0,0|1,0,0]=3 65 B18R3.4953944 CC1=CC2=C(C=C1)N(C3=C2CCCC3N)C MCULE-5941422177 [1,0,1,0,0,0|0,0,0]=2 66 B18R3.4953944 CC1=CC2=C(C=C1)N(C3=C2CCCC3O)C MCULE-2686684392 [1,0,1,0,0,0|1,0,0]=3 67 B18R3.4953944 CC1=CC=C2C(=C1)C3=C(N2C)C(=O)CCC3 MCULE-1720987639 [1,0,1,0,0,0|1,0,1]=4 68 B18R3.4953944 [C@H]1(CCCC2=C1N(C3=C2C=C(C=C3)C)C)O MCULE-3383141575 [1,0,1,0,0,0|1,0,0]=3 69 B18R3.52101 CC1=CC2=C(C=C1)N3CCNC(C3=C2C)C MCULE-2434731152 [1,0,1,0,0,0|0,0,0]=2 70 B18R3.52101 CC1=CC2=C(C=C1)N3CC[NH2+]C(C3=C2C)C MCULE-4271475723 [1,0,1,0,0,0|0,0,1]=3 71 B20R3.3541504 CC1=CC2=C(C=C1)N(C3=C2CCCC3=O)CCBr MCULE-2538258764 [0,1,1,0,0,0|1,0,1]=4 72 B20R3.3541504 CC1=CC2=C(C=C1)N(C3=C2CCCC3=O)CCCl MCULE-3683145413 [0,1,1,0,0,0|1,0,1]=4 73 B20R3.386126 C1(CCCC2=C1NC3=CC=C(C=C23)C)NCCO MCULE-4532431215 [0,1,1,0,0,0|0,0,0]=2 74 B20R3.386126 CC1=CC=C2NC3=C(C2=C1)CCCC3=NCCO MCULE-1679454274 [0,1,1,0,0,0|0,0,2]=4 75 B20R3.386126 CC1=CC=C2NC3=C(C2=C1)CCCC3[NH2+]CCO MCULE-3854349109 [0,1,1,0,0,0|0,0,1]=3 76 B20R3.386126 OCCNC1CCCC2=C1NC3=C2C=C(C=C3)Br MCULE-9365233487 [0,1,1,0,0,0|1,0,0]=3 77 B20R3.386126 OCC[NH2+]C1CCCC2=C1NC3=C2C=C(C=C3)Br MCULE-9240760526 [0,1,1,0,0,0|1,0,1]=4 78 B20R3.15081627 CC(=O)NC1CCCC2=C1NC3=C2C=C(C=C3)C MCULE-4341147875 [0,1,1,0,0,0|0,0,1]=3 79 B20R3.15081627 CC(=O)NC1CCCC2=C1NC3=CC=C(C=C23)Cl MCULE-3495823280 [0,1,1,0,0,0|1,0,1]=4 80 B20R3.15081627 CC(=O)NC1CCCC2=C1NC3=CC=C(C=C23)F MCULE-2056975031 [0,1,1,0,0,0|1,0,1]=4 81 B20R3.15081627 CC1=CC2=C(C=C1)NC3=C2CCCC3NC(=O)N MCULE-6828721316 [0,1,1,0,0,0|1,0,1]=4 82 B20R3.15087993 CC1=CC2=C(C=C1)N(C3=C2CCCC3C(=O)N)C MCULE-6872625087 [0,1,1,0,0,0|2,0,0]=4 83 B22R4.94629376 CC1=CC2=C(C=C1)N3CC(CN=C4C3=C2CCC4)O MCULE-1549051041 [0,1,0,0,0,1|0,0,2]=4 84 B22R4.94629376 CC1=CC2=C(C=C1)N3CC(CN=C4C3=C2CCC4)O MCULE-3984890022 [0,1,0,0,0,1|0,0,2]=4 85 B22R4.101226030 CC(C)C1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-2548345831 [0,2,0,0,0,0|0,0,0]=2 86 B22R4.101226030 CC(C)C1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-3213087380 [0,2,0,0,0,0|0,0,0]=2 87 B22R4.101226030 O=C(O)C1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-9097763869 [0,2,0,0,0,0|0,0,1]=3 88 B22R4.101226030 O=N(=O)C1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-3841682938 [0,2,0,0,0,0|1,0,0]=3 89 B22R4.101226030 O=N(=O)C1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-5658508089 [0,2,0,0,0,0|1,0,0]=3 90 B22R4.516357943 COC1=CC2=C(C=C1)N3CCN(C4=NCCC2=C34)C MCULE-3284788129 [0,2,0,0,0,0|1,0,1]=4 91 B22R4.20666081 CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)C=O MCULE-5332130357 [0,2,0,0,0,0|0,0,0]=2 92 B22R4.20666081 CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)N=O MCULE-5840476731 [0,2,0,0,0,0|0,0,0]=2 93 B22R4.20666081 CCN1CCN2C3=C(C=C(C=C3)Br)C4=C2C1CCC4 MCULE-7909097482 [0,2,0,0,0,0|1,0,0]=3 94 B22R4.20666081 CCN1CCN2C3=C(C=C(C=C3)Br)C4=C2C1CCC4 MCULE-8178985392 [0,2,0,0,0,0|1,0,0]=3 95 B22R4.20666081 CCN1CCN2C3=C(C=C(C=C3)C)C4=C2C1CCC4 MCULE-9091079767 [0,2,0,0,0,0|0,0,0]=2