0 B19R2.2474 CCCCNC(C1=CC=CC=C1)C2=CC=NC=C2 MCULE-6827306959 [0,0,0,0,0,0|3,0,0]=3 1 B19R2.2474 CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-6102670976 [0,0,0,0,0,0|0,0,0]=0 2 B19R2.2474 CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-9442468364 [0,0,0,0,0,0|0,0,0]=0 3 B19R2.2474 OCCCNC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-5744642627 [0,0,0,0,0,0|3,0,0]=3 4 B19R2.2474 OCCCNC(C1=CC=CC=C1)C2=CC=NC=C2 MCULE-1597971134 [0,0,0,0,0,0|4,0,0]=4 5 B19R2.2474 OCCCNC(C1=CC=CC=C1)C2=CC=NC=C2 MCULE-9582575066 [0,0,0,0,0,0|4,0,0]=4 6 B19R2.2474 OCCCNC(C1=CC=CC=C1)C2=NC=CC=C2 MCULE-4793305044 [0,0,0,0,0,0|4,0,0]=4 7 B19R2.2474 OCCC[NH2+]C(C1=CC=CC=C1)C2=CC=[NH+]C=C2 MCULE-9526377188 [0,0,0,0,0,0|4,0,0]=4 8 B18R2.40 BrCCC=C(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1027840918 [1,0,0,0,0,0|2,0,1]=4 9 B18R2.40 BrCCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-8495828296 [1,0,0,0,0,0|1,0,0]=2 10 B18R2.40 CCCC=C(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-5917205191 [1,0,0,0,0,0|1,0,1]=3 11 B18R2.40 CCCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-6029936857 [1,0,0,0,0,0|1,0,0]=2 12 B18R2.40 CCCCN(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7343790097 [1,0,0,0,0,0|2,0,0]=3 13 B18R2.40 CCCCP(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7088028629 [1,0,0,0,0,0|2,0,0]=3 14 B18R2.40 CCCNC(C1=CC=CC=C1)C2=CC=NC=C2 MCULE-7656214636 [1,0,0,0,0,0|2,0,0]=3 15 B18R2.40 CNCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1651295578 [1,0,0,0,0,0|0,0,0]=1 16 B18R2.40 CNCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-4977594326 [1,0,0,0,0,0|0,0,0]=1 17 B18R2.40 ClCCC[S+](C1=CC=CC=C1)C2=CC=CC=C2 MCULE-2794415260 [1,0,0,0,0,0|3,0,0]=4 18 B18R2.40 ClCCC[S+](C1=CC=CC=C1)C2=CC=CC=C2 MCULE-9322508419 [1,0,0,0,0,0|3,0,0]=4 19 B18R2.40 ClCCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-8071410359 [1,0,0,0,0,0|1,0,0]=2 20 B18R2.40 N#CCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-4348076434 [1,0,0,0,0,0|2,0,0]=3 21 B18R2.40 NCCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7144031505 [1,0,0,0,0,0|1,0,0]=2 22 B18R2.40 NCCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-8258442400 [1,0,0,0,0,0|1,0,0]=2 23 B18R2.40 NCCCP(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-4382330847 [1,0,0,0,0,0|2,0,0]=3 24 B18R2.40 NCCNC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-4884463718 [1,0,0,0,0,0|1,0,0]=2 25 B18R2.40 NCCOB(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-2160017868 [1,0,0,0,0,0|1,0,0]=2 26 B18R2.40 NCCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-5044158318 [1,0,0,0,0,0|0,0,0]=1 27 B18R2.40 NCCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7387541214 [1,0,0,0,0,0|0,0,0]=1 28 B18R2.40 O=CNCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7177976679 [1,0,0,0,0,0|3,0,0]=4 29 B18R2.40 S=C=NCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-6435720046 [1,0,0,0,0,0|3,0,0]=4 30 B20R2.2498 CNCCOC(C1=CC=CC=C1)C2=CC=CC(=C2)C MCULE-7518411974 [0,1,0,0,0,0|0,0,0]=1 31 B20R2.2501 OCCCNC(C1=CC=CC=C1)C2=CC=C(C=C2)O MCULE-2490548059 [0,1,0,0,0,0|3,0,0]=4 32 B20R2.4159 CCCCCCP(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-2387076999 [0,1,0,0,0,0|3,0,0]=4 33 B20R2.4159 CCNCCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-2092952683 [0,1,0,0,0,0|0,0,0]=1 34 B20R2.4159 CCNCCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-5854766892 [0,1,0,0,0,0|0,0,0]=1 35 B20R2.4159 COCCCNC(C1=CC=CC=C1)C2=CC=CC=N2 MCULE-4755315407 [0,1,0,0,0,0|3,0,0]=4 36 B20R2.4159 COCCCNC(C1=CC=CC=C1)C2=CC=NC=C2 MCULE-2931854431 [0,1,0,0,0,0|3,0,0]=4 37 B20R2.4159 COCCCNC(C1=CC=CC=C1)C2=CC=NC=C2 MCULE-8387349460 [0,1,0,0,0,0|3,0,0]=4 38 B20R2.4159 N#CCCON=C(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-6089385630 [0,1,0,0,0,0|2,0,1]=4 39 B20R2.4986 CCCCC(O)C(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-4592411104 [0,1,0,0,0,0|2,0,0]=3 40 B20R2.4986 CCCNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1055198741 [0,1,0,0,0,0|3,0,0]=4 41 B20R2.10799 CC(=O)NCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7963537969 [0,1,0,0,0,0|3,0,0]=4 42 B20R2.10799 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-3867814648 [0,1,0,0,0,0|0,0,0]=1 43 B20R2.10799 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-6260910826 [0,1,0,0,0,0|0,0,0]=1 44 B20R2.10799 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7781861736 [0,1,0,0,0,0|0,0,0]=1 45 B20R2.10799 CN(C)CCSC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1917854647 [0,1,0,0,0,0|0,1,0]=2 46 B20R2.10799 CN(C)CCSC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-8914441112 [0,1,0,0,0,0|0,1,0]=2 47 B20R2.10799 O=C(O)CCSC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7721967451 [0,1,0,0,0,0|2,1,0]=4 48 B20R2.14082 CCCC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-6989107519 [0,1,0,0,0,0|2,0,1]=4 49 B20R2.14082 CNCC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-3238650468 [0,1,0,0,0,0|1,0,1]=3 50 B20R2.14082 CNCC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-6269721841 [0,1,0,0,0,0|1,0,1]=3 51 B20R2.14082 CNCC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-8627053454 [0,1,0,0,0,0|1,0,1]=3 52 B20R2.14082 CNCC(O)CN(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-6209157628 [0,1,0,0,0,0|2,0,0]=3 53 B20R2.14082 COCC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1423779089 [0,1,0,0,0,0|2,0,1]=4 54 B20R2.18148 O=C(CSC(C1=CC=CC=C1)C2=CC=CC=C2)NO MCULE-1404196268 [0,1,0,0,0,0|1,1,1]=4 55 B20R2.18148 OC(CCl)CNC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1767654895 [0,1,0,0,0,0|3,0,0]=4 56 B20R2.19886 OC(CCCCCl)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-5697222326 [0,1,0,0,0,0|3,0,0]=4 57 B20R2.21885 CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2C MCULE-7888368317 [0,1,0,0,0,0|0,0,0]=1 58 B20R2.21885 CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2C MCULE-8477718810 [0,1,0,0,0,0|0,0,0]=1 59 B20R3.250 C[C@H]1CCN1C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-7003254017 [0,0,0,1,0,0|2,0,0]=3 60 B20R3.2741 C1=CC=C(C=C1)C(C2=CC=CC=C2)C3CCCN3 MCULE-3470079811 [0,0,0,1,0,0|3,0,0]=4 61 B20R3.2741 C1=CC=C(C=C1)C(C2=CC=CC=C2)C3CCCN3 MCULE-9092597702 [0,0,0,1,0,0|3,0,0]=4 62 B20R3.2741 C1=CC=C(C=C1)C(C2=CC=CC=C2)[C@@H]3CCCN3 MCULE-2673103689 [0,0,0,1,0,0|3,0,0]=4 63 B20R3.2741 C1=CC=C(C=C1)C(C2=CC=CC=C2)[C@@H]3CCCN3 MCULE-3508273169 [0,0,0,1,0,0|3,0,0]=4 64 B20R3.2741 C1=CC=C(C=C1)C(C2=CC=CC=C2)[C@@H]3CCCN3 MCULE-9957115538 [0,0,0,1,0,0|3,0,0]=4 65 B20R3.2741 C1=CC=C(C=C1)C(C2=CC=CC=C2)[C@H]3CCCN3 MCULE-1534059449 [0,0,0,1,0,0|3,0,0]=4 66 B20R3.2741 C1=CC=C(C=C1)C(C2=CC=CC=C2)[C@H]3CCCN3 MCULE-1564046383 [0,0,0,1,0,0|3,0,0]=4 67 B20R3.2741 C1=CC=C(C=C1)C(C2=CC=CC=C2)[C@H]3CCCN3 MCULE-3067358848 [0,0,0,1,0,0|3,0,0]=4 68 B20R3.2741 C1=CC=C(C=C1)C(C2=CC=CC=C2)[C@H]3CCCN3 MCULE-7085580452 [0,0,0,1,0,0|3,0,0]=4 69 B20R3.23543 CN[C@@H]1CC[C@@H](C2=CC=CC=C12)C3=CC=CC=C3 MCULE-6926856315 [0,0,0,1,0,0|1,0,0]=2 70 B20R3.30135 C1=CC=C(C=C1)C(OCC2CO2)C3=CC=CC=C3 MCULE-2182941162 [0,0,0,1,0,0|1,0,0]=2 71 B20R3.30137 C1=CC=C(C=C1)C2OCCNCC3=C2C=CC=C3 MCULE-4687765366 [0,0,0,1,0,0|0,0,0]=1 72 B20R3.2028422 C1=CC=C(C=C1)C2(CCCNC2)C3=CC=CC=C3 MCULE-8675826992 [0,0,0,1,0,0|1,0,0]=2 73 B20R3.2028422 C1=CC=C(C=C1)C2(CCCNC2)C3=CC=CC=C3 MCULE-9125290832 [0,0,0,1,0,0|1,0,0]=2 74 B20R3.2028422 C1=CC=C(C=C1)C2(CCNCC2)C3=CC=CC=C3 MCULE-2060698703 [0,0,0,1,0,0|3,0,0]=4 75 B20R3.2028422 C1=CC=C(C=C1)C2(CCNCC2)C3=CC=CC=C3 MCULE-4845345046 [0,0,0,1,0,0|3,0,0]=4 76 B20R3.2028422 C1=CC=C(C=C1)C2(CNCCN2)C3=CC=CC=C3 MCULE-3651387387 [0,0,0,1,0,0|1,0,0]=2 77 B20R3.2028422 C1=CC=C(C=C1)C2(NCCCO2)C3=CC=CC=C3 MCULE-7141657542 [0,0,0,1,0,0|2,0,0]=3 78 B20R3.2040304 CCCCCN1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-8970752658 [0,0,0,1,0,0|3,0,0]=4 79 B20R3.2040304 CNCCCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-9675162505 [0,0,0,1,0,0|2,0,0]=3 80 B17R2.159 BrCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-5045165931 [2,0,0,0,0,0|1,0,0]=3 81 B17R2.159 BrCC[S+](C1=CC=CC=C1)C2=CC=CC=C2 MCULE-3805837089 [2,0,0,0,0,0|2,0,0]=4 82 B17R2.159 BrCC[S+](C1=CC=CC=C1)C2=CC=CC=C2 MCULE-9957671536 [2,0,0,0,0,0|2,0,0]=4 83 B17R2.159 C#CCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-8424845195 [2,0,0,0,0,0|0,0,2]=4 84 B17R2.159 CCC=C(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-5431557253 [2,0,0,0,0,0|0,0,2]=4 85 B17R2.159 CCCP(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-6625741319 [2,0,0,0,0,0|1,0,0]=3 86 B17R2.159 CCNC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-5322513670 [2,0,0,0,0,0|1,0,0]=3 87 B17R2.159 CCNC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7544442816 [2,0,0,0,0,0|1,0,0]=3 88 B17R2.159 CCOP(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7817431621 [2,0,0,0,0,0|1,0,0]=3 89 B17R2.159 CNCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-5559788830 [2,0,0,0,0,0|0,0,0]=2 90 B17R2.159 N#CCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-5179427799 [2,0,0,0,0,0|0,0,2]=4 91 B17R2.159 NCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-3118494161 [2,0,0,0,0,0|0,0,0]=2 92 B17R2.159 NCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-4997007441 [2,0,0,0,0,0|0,0,0]=2 93 B17R2.159 NCCP(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-6665395464 [2,0,0,0,0,0|1,0,0]=3 94 B17R2.159 O=CCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-5577261730 [2,0,0,0,0,0|1,0,1]=4 95 B17R2.159 OCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-5418906329 [2,0,0,0,0,0|1,0,0]=3 96 B17R2.159 OCCC(C1=CC=CC=C1)C2=CC=NC=C2 MCULE-8505311666 [2,0,0,0,0,0|2,0,0]=4 97 B17R2.159 OCCN(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-4988405848 [2,0,0,0,0,0|2,0,0]=4 98 B17R2.159 OCCP(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-8071750053 [2,0,0,0,0,0|2,0,0]=4 99 B17R2.159 PCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-9997210821 [2,0,0,0,0,0|0,1,0]=3 100 B17R2.159 [NH3+]CCP(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-5972613155 [2,0,0,0,0,0|1,0,1]=4 101 B19R2.31 CCCCN(C1=CC=CC=C1)C2=CC(=CC=C2)Br MCULE-7017887223 [1,1,0,0,0,0|2,0,0]=4 102 B19R2.34 CCCCN(C1=CC=CC=C1)C2=CC=C(C=C2)Br MCULE-8171058796 [1,1,0,0,0,0|2,0,0]=4 103 B19R2.34 CCCNC(C1=CC=C(C=C1)F)C2=CN=CC=C2 MCULE-8970608592 [1,1,0,0,0,0|2,0,0]=4 104 B19R2.34 CCCNC(C1=CC=C(C=C1)F)C2=CN=CC=C2 MCULE-9519900766 [1,1,0,0,0,0|2,0,0]=4 105 B19R2.34 CNCCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2 MCULE-6768745759 [1,1,0,0,0,0|1,0,0]=3 106 B19R2.34 CNCCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2 MCULE-7807374004 [1,1,0,0,0,0|1,0,0]=3 107 B19R2.9813 CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7731926559 [1,1,0,0,0,0|2,0,0]=4 108 B19R2.9813 CNCC(O)C(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-4023334443 [1,1,0,0,0,0|0,0,0]=2 109 B19R2.9813 CNCC(O)C(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-5737635402 [1,1,0,0,0,0|0,0,0]=2 110 B19R2.9813 NCCC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7126795268 [1,1,0,0,0,0|2,0,0]=4 111 B19R2.12918 CNC(=S)NC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7402631966 [1,1,0,0,0,0|1,0,1]=4 112 B19R2.12918 COC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1871085776 [1,1,0,0,0,0|1,0,1]=4 113 B19R2.12918 NCC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-6613140309 [1,1,0,0,0,0|1,0,1]=4 114 B19R2.12918 NCC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7757155502 [1,1,0,0,0,0|1,0,1]=4 115 B19R2.12918 NCC(=O)OB(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-4755037109 [1,1,0,0,0,0|1,0,1]=4 116 B19R2.12918 NCC(O)CN(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-8512762890 [1,1,0,0,0,0|2,0,0]=4 117 B19R2.12918 NNC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1111263920 [1,1,0,0,0,0|1,0,1]=4 118 B19R2.12918 O=C(CC(C1=CC=CC=C1)C2=CC=CC=C2)NO MCULE-9850302377 [1,1,0,0,0,0|1,0,1]=4 119 B19R2.12918 O=C(CCl)OC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-3432355171 [1,1,0,0,0,0|1,0,1]=4 120 B19R2.13225 CC(SCCN)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-2362370547 [1,1,0,0,0,0|0,1,0]=3 121 B19R2.13225 CC(SCC[NH3+])(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-2063907016 [1,1,0,0,0,0|0,1,1]=4 122 B19R2.13225 CCCCC(O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7176738024 [1,1,0,0,0,0|1,0,0]=3 123 B19R2.13225 CCCCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-6497031190 [1,1,0,0,0,0|2,0,0]=4 124 B19R2.13225 CCCCP(=S)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-5518398577 [1,1,0,0,0,0|2,0,0]=4 125 B19R2.13225 CCCOP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1707644905 [1,1,0,0,0,0|1,0,0]=3 126 B19R2.13225 OC(CCCCl)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1107822579 [1,1,0,0,0,0|2,0,0]=4 127 B19R2.13577 CC(=O)NCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-4562837899 [1,1,0,0,0,0|2,0,0]=4 128 B19R2.13577 CN(C)CCC(C1=CC=CC=C1)C2=NC=CC=C2 MCULE-1277462752 [1,1,0,0,0,0|1,0,0]=3 129 B19R2.13577 CN(C)CCC(C1=CC=CC=C1)C2=NC=CC=C2 MCULE-1937757973 [1,1,0,0,0,0|1,0,0]=3 130 B19R2.13577 CN(C)CCC(C1=CC=CC=C1)C2=NC=CC=C2 MCULE-4429131537 [1,1,0,0,0,0|1,0,0]=3 131 B19R2.13577 CN(C)CCC(C1=CC=CC=C1)C2=NC=CC=C2 MCULE-6921949374 [1,1,0,0,0,0|1,0,0]=3 132 B19R2.13577 CN(C)CCC(C1=CC=CC=C1)C2=NC=CC=C2 MCULE-7152203152 [1,1,0,0,0,0|1,0,0]=3 133 B19R2.13577 NC(=O)CSC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-9764559241 [1,1,0,0,0,0|0,1,1]=4 134 B21R2.28212 CCCCSC(C(=O)C1=CC=CC=C1)C2=CC=CC=C2 MCULE-3222562617 [0,1,0,0,0,1|1,1,0]=4 135 B21R2.103739 CC1=CC=CC(=C1)C(OCCN(C)C)C2=CC=CC=C2 MCULE-7079985586 [0,2,0,0,0,0|0,0,0]=2 136 B21R2.103739 CC1=CC=CC(=C1)C(OCCN(C)C)C2=CC=CC=C2 MCULE-7250467150 [0,2,0,0,0,0|0,0,0]=2 137 B21R2.366996 CC1=CC=C(C=C1)C(OCCN(C)C)C2=CC=CC=C2 MCULE-3077042871 [0,2,0,0,0,0|0,0,0]=2 138 B21R2.366996 CC1=CC=C(C=C1)C(OCCN(C)C)C2=CC=CC=C2 MCULE-8647139942 [0,2,0,0,0,0|0,0,0]=2 139 B21R2.366996 CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2 MCULE-2463311442 [0,2,0,0,0,0|1,0,0]=3 140 B21R2.366996 CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2 MCULE-8298496189 [0,2,0,0,0,0|1,0,0]=3 141 B21R2.366996 CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2 MCULE-9375103807 [0,2,0,0,0,0|1,0,0]=3 142 B21R2.366996 CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)Br MCULE-5359251560 [0,2,0,0,0,0|0,0,0]=2 143 B21R2.366996 CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)Br MCULE-8384054041 [0,2,0,0,0,0|0,0,0]=2 144 B21R2.366996 CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)Cl MCULE-4137183803 [0,2,0,0,0,0|0,0,0]=2 145 B21R2.366996 CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)Cl MCULE-9602307051 [0,2,0,0,0,0|0,0,0]=2 146 B21R2.366996 CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)N MCULE-4743151384 [0,2,0,0,0,0|0,0,0]=2 147 B21R2.366996 CN(C)CCO[C@H](C1=CC=C(C=C1)Cl)C2=CC=CC=N2 MCULE-2465711470 [0,2,0,0,0,0|1,0,0]=3 148 B21R2.2330 CCCCNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1067856723 [0,2,0,0,0,0|2,0,0]=4 149 B21R2.2330 CCCCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-3966865232 [0,2,0,0,0,0|1,0,0]=3 150 B21R2.2330 COCCNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-4886144562 [0,2,0,0,0,0|2,0,0]=4 151 B21R2.2905 CCCNCCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-3524642041 [0,2,0,0,0,0|0,0,0]=2 152 B21R2.2905 CCCNCCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-8084479496 [0,2,0,0,0,0|0,0,0]=2 153 B21R2.7555 CCCCCOP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7460594634 [0,2,0,0,0,0|2,0,0]=4 154 B21R2.7555 CCCCOCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-2978037903 [0,2,0,0,0,0|2,0,0]=4 155 B21R2.7555 COCCOCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-3306250707 [0,2,0,0,0,0|2,0,0]=4 156 B21R2.12898 CC(C)NCCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-5626679297 [0,2,0,0,0,0|0,0,0]=2 157 B21R2.12898 CC(C)NCCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-8186267149 [0,2,0,0,0,0|0,0,0]=2 158 B21R2.12898 CN(C)CCCNC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-2184332942 [0,2,0,0,0,0|1,0,0]=3 159 B21R2.12898 CN(C)CCON=C(C1=CC=CC=C1)C2=CC=NC=C2 MCULE-1831278042 [0,2,0,0,0,0|1,0,1]=4 160 B21R2.12898 CN(C)CCON=C(C1=CC=CC=C1)C2=CC=NC=C2 MCULE-4309392049 [0,2,0,0,0,0|1,0,1]=4 161 B21R2.21291 CN(CBr)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-2244821375 [0,2,0,0,0,0|0,0,0]=2 162 B21R2.21291 CNC(=O)NCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1878133278 [0,2,0,0,0,0|1,0,1]=4 163 B21R2.21291 CNC(=S)NCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7782553191 [0,2,0,0,0,0|1,0,1]=4 164 B21R2.21291 COC(=O)CCNC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1038034977 [0,2,0,0,0,0|2,0,0]=4 165 B21R2.25778 CCCCC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1622211450 [0,2,0,0,0,0|2,0,0]=4 166 B21R2.38886 CN(=O)(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-9664455119 [0,2,0,0,0,0|0,0,1]=3 167 B21R2.97772 CC(=O)CC(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-8297934530 [0,2,0,0,0,0|1,0,1]=4 168 B21R2.97772 CN(C)CC(O)CN(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1418836575 [0,2,0,0,0,0|2,0,0]=4 169 B21R2.205989 CC1=C(C=CC=C1)C(OCCN(C)C)C2=CC=CC=C2 MCULE-5864907407 [0,2,0,0,0,0|0,0,0]=2 170 B21R2.205989 CC1=CC=CC=C1C(OCCN(C)C)C2=CC=CC=C2 MCULE-1907411306 [0,2,0,0,0,0|0,0,0]=2 171 B21R2.205989 CC1=CC=CC=C1C(OCCN(C)C)C2=CC=CC=C2 MCULE-7320950210 [0,2,0,0,0,0|0,0,0]=2 172 B21R2.252285 CC(C)CCOP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-3605029287 [0,2,0,0,0,0|2,0,0]=4 173 B21R2.252285 CN(C)CC#CC(O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-3324353802 [0,2,0,0,0,0|1,0,1]=4 174 B21R2.252285 CN(C)CC#CC(O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7600256810 [0,2,0,0,0,0|1,0,1]=4 175 B21R2.252285 CN(C)CC=CC(O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-5794244044 [0,2,0,0,0,0|1,0,1]=4 176 B21R2.252285 CN(C)CC=CC(O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-8117244624 [0,2,0,0,0,0|1,0,1]=4 177 B21R2.252285 CN(C)CCCC(O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-3286095993 [0,2,0,0,0,0|1,0,0]=3 178 B21R2.252285 CN(C)CCCC(O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-4069496583 [0,2,0,0,0,0|1,0,0]=3 179 B21R2.252285 CN(C)CCOC(C)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-2551447731 [0,2,0,0,0,0|0,0,0]=2 180 B21R2.252285 CN(C)CCOC(C)(C1=CC=CC=C1)C2=CC=NC=C2 MCULE-3872542853 [0,2,0,0,0,0|1,0,0]=3 181 B21R2.252285 CN(C)CCOC(C)(C1=CC=CC=C1)C2=NC=CC=C2 MCULE-1561851137 [0,2,0,0,0,0|1,0,0]=3 182 B21R2.252285 CN(C)CCOP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1350466146 [0,2,0,0,0,0|1,0,0]=3 183 B21R2.252285 C[NH+](C)CCOC(C)(C1=CC=CC=C1)C2=NC=CC=C2 MCULE-7394342520 [0,2,0,0,0,0|1,0,1]=4 184 B19R3.551 N#CC1CC1(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-1310092281 [1,0,0,1,0,0|2,0,0]=4 185 B19R3.2378 C1=CC=C(C=C1)C(=[S+]C2CC2)C3=CC=CC=C3 MCULE-3964099827 [1,0,0,1,0,0|0,1,1]=4 186 B19R3.2378 C1=CC=C(C=C1)C(=[S+]C2CC2)C3=CC=CC=C3 MCULE-9758993736 [1,0,0,1,0,0|0,1,1]=4 187 B19R3.2378 C1=CC=C(C=C1)C(NC2CC2)C3=CC=CC=C3 MCULE-5099628145 [1,0,0,1,0,0|1,0,0]=3 188 B19R3.2378 C1=CC=C(C=C1)N(CC2CO2)C3=CC=CC=C3 MCULE-4838128173 [1,0,0,1,0,0|2,0,0]=4 189 B19R3.9008 NC1CCN(C2=C1C=CC=C2)C3=CC=CC=C3 MCULE-3853422922 [1,0,0,1,0,0|2,0,0]=4 190 B19R3.9008 O=C1CCC(C2=C1C=CC=C2)C3=CC=CC=C3 MCULE-1219128777 [1,0,0,1,0,0|2,0,0]=4 191 B19R3.19220 C1=CC=C(C=C1)C2CNCCC3=C2C=CC=C3 MCULE-2722132856 [1,0,0,1,0,0|2,0,0]=4 192 B19R3.19220 C1=CC=C(C=C1)C2CNCCC3=C2C=CC=C3 MCULE-4457103574 [1,0,0,1,0,0|2,0,0]=4 193 B19R3.19220 C1=CC=C(C=C1)C2NCCOC3=CC=CC=C23 MCULE-1271684066 [1,0,0,1,0,0|2,0,0]=4 194 B19R3.19220 C1=CC=C(C=C1)C2NCCOC3=CC=CC=C23 MCULE-4818249844 [1,0,0,1,0,0|2,0,0]=4 195 B19R3.19227 C1=CC=C(C=C1)C2(CCCO2)C3=CC=CC=C3 MCULE-6052973560 [1,0,0,1,0,0|0,0,0]=2 196 B19R3.19227 C1=CC=C(C=C1)C2(NCCO2)C3=CC=CC=C3 MCULE-8259534377 [1,0,0,1,0,0|0,0,0]=2 197 B19R3.19227 C1=CC=C(C=C1)[P+]2(CCCS2)C3=CC=CC=C3 MCULE-1719299662 [1,0,0,1,0,0|1,1,0]=4 198 B19R3.19227 C1=CC=C(C=C1)[P+]2(CCCS2)C3=CC=CC=C3 MCULE-3103984102 [1,0,0,1,0,0|1,1,0]=4 199 B19R3.19319 C1=CC=C(C=C1)C(C2=CC=CC=C2)N3CCC3 MCULE-3469348878 [1,0,0,1,0,0|1,0,0]=3 200 B19R3.223646 CCCC=C1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-8064713462 [1,0,0,1,0,0|1,0,1]=4 201 B19R3.223646 CCCCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-5790669497 [1,0,0,1,0,0|2,0,0]=4 202 B19R3.223646 NCCCN1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-2143522515 [1,0,0,1,0,0|2,0,0]=4 203 B19R3.223646 NCCCN1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-7991975100 [1,0,0,1,0,0|2,0,0]=4 204 B21R3.884 BrC1=CC=C(C=C1)C(C2=CC=CC=C2)N3CCCC3 MCULE-5203103028 [0,1,0,1,0,0|2,0,0]=4 205 B21R3.30932 CC1=CC=C(C=C1)C(OCC2CO2)C3=CC=CC=C3 MCULE-9175829566 [0,1,0,1,0,0|1,0,0]=3 206 B21R3.36441 CN[C@@H]1CC[C@H](C2=C1C=CC=C2)C3=CC=C(C=C3)Br MCULE-1721887238 [0,1,0,1,0,0|1,0,0]=3 207 B21R3.36441 CN[C@@H]1CC[C@H](C2=C1C=CC=C2)C3=CC=C(C=C3)Br MCULE-5323038134 [0,1,0,1,0,0|1,0,0]=3 208 B21R3.649619 OC1=CC=C(C=C1)C2(CCCCC2)C3=CC=CC=C3 MCULE-2510885620 [0,1,0,1,0,0|2,0,0]=4 209 B21R3.2907 OCC1CCN1C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-3451124455 [0,1,0,1,0,0|2,0,0]=4 210 B21R3.3138 C1=CC=C(C=C1)C(=C2CCNCC2)C3=CC=CC=C3 MCULE-9707930855 [0,1,0,1,0,0|1,0,1]=4 211 B21R3.3138 C1=CC=C(C=C1)C(C2=CC=CC=C2)C3CCCCN3 MCULE-2692890745 [0,1,0,1,0,0|2,0,0]=4 212 B21R3.3138 C1=CC=C(C=C1)C(C2=CC=CC=C2)C3CCCCN3 MCULE-3109110257 [0,1,0,1,0,0|2,0,0]=4 213 B21R3.3138 C1=CC=C(C=C1)C(C2=CC=CC=C2)C3CCNCC3 MCULE-4826861914 [0,1,0,1,0,0|1,0,0]=3 214 B21R3.3138 C1=CC=C(C=C1)C(C2=CC=CC=C2)N3CCNCC3 MCULE-6788049787 [0,1,0,1,0,0|1,0,0]=3 215 B21R3.3138 C1=CC=C(C=C1)C(C2=CC=CC=N2)N3CCNCC3 MCULE-9640893800 [0,1,0,1,0,0|2,0,0]=4 216 B21R3.3138 [NH2+]1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-5141249752 [0,1,0,1,0,0|1,0,1]=4 217 B21R3.7545 CN1CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C1 MCULE-2089498403 [0,1,0,1,0,0|1,0,1]=4 218 B21R3.7545 CN1CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C1 MCULE-3892292692 [0,1,0,1,0,0|1,0,1]=4 219 B21R3.38456 CNC1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-2495194088 [0,1,0,1,0,0|1,0,0]=3 220 B21R3.38456 COC1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-1174744785 [0,1,0,1,0,0|2,0,0]=4 221 B21R3.38456 NNC1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-3077652845 [0,1,0,1,0,0|2,0,0]=4 222 B21R3.38456 NNC1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-3546030559 [0,1,0,1,0,0|2,0,0]=4 223 B21R3.12150 CN1CCOC(C2=C(C1)C=CC=C2)C3=CC=CC=C3 MCULE-2635908358 [0,1,0,1,0,0|0,0,0]=2 224 B21R3.12150 CN1CCOC(C2=C(C1)C=CC=C2)C3=CC=CC=C3 MCULE-6729144331 [0,1,0,1,0,0|0,0,0]=2 225 B21R3.9913503 CN(C)CCOC1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-7246942383 [0,1,0,1,0,0|0,0,0]=2 226 B21R3.9913503 CN(C)CCOC1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-8156128631 [0,1,0,1,0,0|0,0,0]=2 227 B21R3.8487692 CNCC(O)CN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-1572974212 [0,1,0,1,0,0|2,0,0]=4 228 B21R3.808 O=C1CCC(CN1)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-2271708623 [0,1,0,1,0,0|1,0,1]=4 229 B21R3.808 OC1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-6482072563 [0,1,0,1,0,0|2,0,0]=4 230 B21R3.20089 CC1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)N MCULE-4364575531 [0,1,0,1,0,0|2,0,0]=4 231 B21R3.20089 CC1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)O MCULE-7780835092 [0,1,0,1,0,0|2,0,0]=4 232 B21R3.20089 C[C@@H]1[C@@H](CN1C(C2=CC=CC=C2)C3=CC=CC=C3)O MCULE-1475341607 [0,1,0,1,0,0|2,0,0]=4 233 B21R3.20089 C[C@@H]1[C@H](CN1C(C2=CC=CC=C2)C3=CC=CC=C3)O MCULE-1999505939 [0,1,0,1,0,0|2,0,0]=4 234 B21R3.20089 C[C@@H]1[C@H](CN1C(C2=CC=CC=C2)C3=CC=CC=C3)O MCULE-2782516426 [0,1,0,1,0,0|2,0,0]=4 235 B21R3.20089 C[C@H]1[C@@H](CN1C(C2=CC=CC=C2)C3=CC=CC=C3)O MCULE-3320359664 [0,1,0,1,0,0|2,0,0]=4 236 B21R3.20089 C[C@H]1[C@@H](CN1C(C2=CC=CC=C2)C3=CC=CC=C3)O MCULE-6185445378 [0,1,0,1,0,0|2,0,0]=4 237 B21R3.20089 C[C@H]1[C@H](CN1C(C2=CC=CC=C2)C3=CC=CC=C3)N MCULE-5002088424 [0,1,0,1,0,0|2,0,0]=4 238 B21R3.20089 C[C@H]1[C@H](CN1C(C2=CC=CC=C2)C3=CC=CC=C3)N MCULE-6325078101 [0,1,0,1,0,0|2,0,0]=4 239 B21R3.20089 C[C@H]1[C@H](CN1C(C2=CC=CC=C2)C3=CC=CC=C3)N MCULE-7308142989 [0,1,0,1,0,0|2,0,0]=4 240 B21R3.20089 C[C@H]1[C@H](CN1C(C2=CC=CC=C2)C3=CC=CC=C3)O MCULE-5957752211 [0,1,0,1,0,0|2,0,0]=4 241 B21R3.31749 COC(=O)C1OC1(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-4868282575 [0,1,0,1,0,0|1,0,1]=4 242 B21R3.137211 ClCC1COC(O1)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-5231240051 [0,1,0,1,0,0|2,0,0]=4 243 B21R3.55755 OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3CCNC3 MCULE-3354840272 [0,1,0,1,0,0|1,0,0]=3 244 B21R3.521824 O=P(OCC1CC1)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-4166438210 [0,1,0,1,0,0|2,0,0]=4 245 B21R3.18311 CC1=C(C=CC=C1)C(OCC2CO2)C3=CC=CC=C3 MCULE-9796920167 [0,1,0,1,0,0|1,0,0]=3 246 B21R3.8069667 CNCCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-2846422713 [0,1,0,1,0,0|2,0,0]=4 247 B19R2.2770 CNCCC(OC1=CC=CC=C1)C2=CC=CC=C2 MCULE-1647014122 [1,0,0,0,0,1|0,0,0]=2 248 B19R2.2770 CNCCC(OC1=CC=CC=C1)C2=CC=CC=C2 MCULE-7490336103 [1,0,0,0,0,1|0,0,0]=2 249 B21R2.416 CCCCCC(NC1=CC=CC=C1)NC2=CC=CC=C2 MCULE-2325059562 [0,0,0,0,0,2|2,0,0]=4 250 B21R2.21313 CCCCCC(CCC1=CC=CC=C1)C2=CC=CC=C2 MCULE-2287656102 [0,0,0,0,0,2|2,0,0]=4