0 B15R1.1035 CCCCC/C(=C/C1=CC=CC=C1)/C=O MCULE-7538684459 [0,0,0,0,0,0|0,0,2]=2 1 B15R1.1035 CCCCC/C(=C\C1=CC=CC=C1)/C=O MCULE-7795088382 [0,0,0,0,0,0|0,0,2]=2 2 B15R1.1035 CCCCC/C(=C\C1=CC=CC=C1)/CO MCULE-4233531883 [0,0,0,0,0,0|0,0,0]=0 3 B15R1.1035 CCCCCC(=CC1=CC=CC=C1)C=O MCULE-7184251597 [0,0,0,0,0,0|0,0,2]=2 4 B15R1.1035 CCCCCC(=CC1=CC=CC=C1)CO MCULE-7151488532 [0,0,0,0,0,0|0,0,0]=0 5 B14R1.158 C=CCNCC(=CC1=CC=CC=C1)C MCULE-1548934969 [1,0,0,0,0,0|1,0,2]=4 6 B14R1.158 C=CCNCC(=CC1=CC=CC=C1)C MCULE-6526504183 [1,0,0,0,0,0|1,0,2]=4 7 B14R1.158 CCCCCC(=O)NC1=CC=CC=C1 MCULE-1571471567 [1,0,0,0,0,0|1,0,1]=3 8 B14R1.158 CCCCCC(=O)NC1=NC=CC=C1 MCULE-3278608667 [1,0,0,0,0,0|2,0,1]=4 9 B14R1.158 CCCCCC(=O)OC1=CC=CC=C1 MCULE-5802912832 [1,0,0,0,0,0|1,0,1]=3 10 B14R1.158 CCCCNC(=O)CC1=CC=CC=C1 MCULE-4971254938 [1,0,0,0,0,0|1,0,2]=4 11 B14R1.158 CCCCNC(=O)NC1=CC=CC=C1 MCULE-3334192192 [1,0,0,0,0,0|2,0,1]=4 12 B14R1.158 CCCCNC(=S)NC1=CC=CC=C1 MCULE-1451418538 [1,0,0,0,0,0|2,1,0]=4 13 B14R1.158 CCCCNC(C)CC1=CC=CC=C1 MCULE-2384394281 [1,0,0,0,0,0|1,0,2]=4 14 B14R1.158 CCCCNC(C)CC1=CC=CC=C1 MCULE-8644209849 [1,0,0,0,0,0|1,0,2]=4 15 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 MCULE-5426662821 [1,0,0,0,0,0|1,0,2]=4 16 B14R1.158 CCCCOC(=O)NC1=CC=CC=C1 MCULE-6763610865 [1,0,0,0,0,0|2,0,1]=4 17 B14R1.158 CCCCSC(=O)NC1=CC=CC=C1 MCULE-4775351036 [1,0,0,0,0,0|2,0,1]=4 18 B14R1.158 CCCNCC(=CC1=CC=CC=C1)C MCULE-4605985100 [1,0,0,0,0,0|1,0,0]=2 19 B14R1.158 CCCNCC(=CC1=CC=CC=C1)C MCULE-4950204537 [1,0,0,0,0,0|1,0,0]=2 20 B14R1.158 CCCSCC(=O)NC1=CC=CC=C1 MCULE-6940664402 [1,0,0,0,0,0|2,0,1]=4 21 B14R1.158 CN(CCCCN)CC1=CC=CC=C1 MCULE-1010496311 [1,0,0,0,0,0|2,0,1]=4 22 B14R1.158 CNCCCC(=O)NC1=CC=CC=C1 MCULE-1806705682 [1,0,0,0,0,0|2,0,1]=4 23 B14R1.158 CNCCCC(=O)NC1=CC=CC=C1 MCULE-3617665421 [1,0,0,0,0,0|2,0,1]=4 24 B14R1.158 CNCCCN(C)CC1=CC=CC=C1 MCULE-5756936355 [1,0,0,0,0,0|2,0,1]=4 25 B14R1.158 O=C(CCCCBr)NC1=CC=CC=C1 MCULE-2924389353 [1,0,0,0,0,0|2,0,1]=4 26 B14R1.158 O=C(CCCCCl)NC1=CC=CC=C1 MCULE-5470039565 [1,0,0,0,0,0|2,0,1]=4 27 B14R1.467 CCCCC(=CC1=CC=CC=C1)C=O MCULE-4768541536 [1,0,0,0,0,0|0,0,2]=3 28 B16R1.1407 CCCCCCC(=CC1=CC=CC=C1)C=O MCULE-1890142461 [0,1,0,0,0,0|0,0,2]=3 29 B16R1.1438 CCCCCN(CCN)CC1=CC=CC=C1 MCULE-9419846198 [0,1,0,0,0,0|2,0,1]=4 30 B16R2.101 OCC(CC1=CC=CC=C1)N2CCCC2 MCULE-4495590565 [0,0,0,1,0,0|1,0,2]=4 31 B16R2.101 OC[C@@H](CC1=CC=CC=C1)N2CCCC2 MCULE-9544601998 [0,0,0,1,0,0|1,0,2]=4 32 B16R2.112 CCCCN1C(=NC2=C1C=CC=C2)CC MCULE-7977991728 [0,0,0,1,0,0|3,0,0]=4 33 B16R2.112 CCCCN1C(=[NH+]C2=C1C=CC=C2)CC MCULE-2170465302 [0,0,0,1,0,0|3,0,0]=4 34 B16R2.112 CCCCN1C2=CC=CC=C2N=C1CO MCULE-7072326779 [0,0,0,1,0,0|2,0,0]=3 35 B16R2.112 COCCN1C(=CC2=C1C=CC=C2)CO MCULE-2262477853 [0,0,0,1,0,0|2,0,0]=3 36 B16R2.112 COCCN1C(=NC2=C1C=CC=C2)CO MCULE-8102868025 [0,0,0,1,0,0|3,0,0]=4 37 B16R2.2441 CCCC/N=C/1\CCC2=C(N1)C=CC=C2 MCULE-2645633930 [0,0,0,1,0,0|3,0,0]=4 38 B16R2.2441 CCCCOC1=CC=C2C=CC=CC2=C1 MCULE-5255761719 [0,0,0,1,0,0|2,0,1]=4 39 B16R2.2441 CCCNCC1COC2=C(O1)C=CC=C2 MCULE-6875018376 [0,0,0,1,0,0|2,0,1]=4 40 B16R2.2441 CCCNCC1COC2=C(O1)C=CC=C2 MCULE-7218759903 [0,0,0,1,0,0|2,0,1]=4 41 B16R2.2441 OCCCCC1=CC=C2C=CC=CC2=C1 MCULE-1802943962 [0,0,0,1,0,0|2,0,1]=4 42 B16R2.7942 CC[N+]1(CCCCC1)CC2=CC=CC=C2 MCULE-3804327136 [0,0,0,1,0,0|2,0,1]=4 43 B16R2.7942 CC[N+]1(CCCCC1)CC2=CC=CC=C2 MCULE-7757941081 [0,0,0,1,0,0|2,0,1]=4 44 B16R2.7942 N1CCCC(C1)(CO)CC2=CC=CC=C2 MCULE-3330445044 [0,0,0,1,0,0|1,0,2]=4 45 B16R2.7942 NCC1(CCCCC1)CC2=CC=CC=C2 MCULE-1214556084 [0,0,0,1,0,0|1,0,2]=4 46 B16R2.7942 NCC1(CCCCC1)CC2=CC=CC=C2 MCULE-3409622240 [0,0,0,1,0,0|1,0,2]=4 47 B16R2.7942 OCC1(CCCNC1)CC2=CC=CC=C2 MCULE-6527261068 [0,0,0,1,0,0|1,0,2]=4 48 B16R2.7942 OCC1(CCNCC1)CC2=CC=CC=C2 MCULE-4403402898 [0,0,0,1,0,0|1,0,2]=4 49 B16R2.7942 OCC1(CCNCC1)CC2=CC=CC=C2 MCULE-6091885915 [0,0,0,1,0,0|1,0,2]=4 50 B16R2.7942 OCC1(CCNCC1)NC2=CC=CC=C2 MCULE-2696059190 [0,0,0,1,0,0|2,0,1]=4 51 B14R1.121 CCCCCC(=NO)C1=CC=CC=C1 MCULE-5842243175 [0,0,0,0,1,0|1,0,0]=2 52 B14R1.121 CCCCNC(CC)C1=CC=CC=C1 MCULE-6064124378 [0,0,0,0,1,0|2,0,1]=4 53 B13R1.28 CCCCCC=CC1=CC=CN=C1 MCULE-1755605368 [2,0,0,0,0,0|1,0,0]=3 54 B13R1.28 CCCCCCCC1=CC=CC=C1 MCULE-1420418528 [2,0,0,0,0,0|0,0,2]=4 55 B13R1.28 CCCCCCNC1=CC=CC=C1 MCULE-2577191795 [2,0,0,0,0,0|1,0,1]=4 56 B13R1.28 CCCCCNCC1=CC=CC=C1 MCULE-9851883766 [2,0,0,0,0,0|1,0,1]=4 57 B13R1.28 CCCCCSCC1=CC=CC=C1 MCULE-3245663306 [2,0,0,0,0,0|1,0,1]=4 58 B13R1.28 CCCNC/C=C/C1=CC=CC=C1 MCULE-6086483688 [2,0,0,0,0,0|1,0,0]=3 59 B13R1.28 CCCNC/C=C/C1=CC=CC=C1 MCULE-7520445939 [2,0,0,0,0,0|1,0,0]=3 60 B13R1.28 CCCNCC=CC1=CC=CC=C1 MCULE-8770833507 [2,0,0,0,0,0|1,0,0]=3 61 B13R1.28 CCCNCC=CC1=CC=CC=C1 MCULE-9040640785 [2,0,0,0,0,0|1,0,0]=3 62 B13R1.28 OCCNC/C=C/C1=CC=CC=C1 MCULE-3193799840 [2,0,0,0,0,0|2,0,0]=4 63 B13R1.28 OCCNC/C=C/C1=CC=CC=C1 MCULE-8311071804 [2,0,0,0,0,0|2,0,0]=4 64 B13R1.28 OCCNCC=CC1=CC=CC=C1 MCULE-2725682127 [2,0,0,0,0,0|2,0,0]=4 65 B13R1.28 OCCNCC=CC1=CC=CC=C1 MCULE-9466375084 [2,0,0,0,0,0|2,0,0]=4 66 B13R1.28 OOCCCC=CC1=CC=CC=C1 MCULE-7527390093 [2,0,0,0,0,0|2,0,0]=4 67 B13R1.44 CCCCC(=O)CC1=CC=CC=C1 MCULE-3101369672 [2,0,0,0,0,0|0,0,2]=4 68 B13R1.44 CCCCC(=O)OC1=CC=CC=C1 MCULE-8399208696 [2,0,0,0,0,0|1,0,1]=4 69 B13R1.44 CCCCC(O)CC1=CC=CC=C1 MCULE-1622619125 [2,0,0,0,0,0|0,0,2]=4 70 B13R1.44 CCCCN(C)CC1=CC=CC=C1 MCULE-3049716506 [2,0,0,0,0,0|1,0,1]=4 71 B13R1.44 CCCCN(C)CC1=CC=CC=C1 MCULE-6245586199 [2,0,0,0,0,0|1,0,1]=4 72 B15R1.83 CCCCCNC(=S)NC1=CC=CC=C1 MCULE-5571891283 [1,1,0,0,0,0|1,1,0]=4 73 B15R1.83 CCCCCOC(=O)CC1=CC=CC=C1 MCULE-4765966535 [1,1,0,0,0,0|0,0,2]=4 74 B15R1.83 CCCCNCC(=CC1=CC=CC=C1)C MCULE-1525444300 [1,1,0,0,0,0|0,0,0]=2 75 B15R1.83 CCCCNCC(=CC1=CC=CC=C1)C MCULE-4866974906 [1,1,0,0,0,0|0,0,0]=2 76 B15R1.83 CCNCCCN(C)CC1=CC=CC=C1 MCULE-3970832563 [1,1,0,0,0,0|1,0,1]=4 77 B15R1.83 NCCCCCC(=O)NC1=CC=CC=C1 MCULE-1342044239 [1,1,0,0,0,0|1,0,1]=4 78 B15R1.83 NCCCCCC(=O)NC1=CC=CC=C1 MCULE-8872662701 [1,1,0,0,0,0|1,0,1]=4 79 B15R1.83 NCCCCCC(=O)SC1=CC=CC=C1 MCULE-1188746107 [1,1,0,0,0,0|1,0,1]=4 80 B15R1.83 NCCCCCC(=O)SC1=CC=CC=C1 MCULE-2374829975 [1,1,0,0,0,0|1,0,1]=4 81 B15R1.93 CCCCCC(=O)N(C)C1=CC=CC=C1 MCULE-7380005338 [1,1,0,0,0,0|1,0,1]=4 82 B15R1.128 CCCCCC(=O)NC1=CC=C(C=C1)Cl MCULE-8931341589 [1,1,0,0,0,0|1,0,1]=4 83 B15R1.128 CCCCCC(=O)NC1=CC=C(C=C1)I MCULE-1722971677 [1,1,0,0,0,0|1,0,1]=4 84 B15R1.128 CCCCCC(=O)NC1=CC=C(C=C1)N MCULE-2843811299 [1,1,0,0,0,0|1,0,1]=4 85 B15R1.128 CCCCCC(C)CC1=CC=C(C=C1)N MCULE-6121130082 [1,1,0,0,0,0|0,0,2]=4 86 B15R1.129 CCCCCC(=O)NC1=CC=CC(=C1)C MCULE-5505606318 [1,1,0,0,0,0|1,0,1]=4 87 B15R1.129 CCCCCC(=O)NC1=CC=CC(=C1)Cl MCULE-9755948252 [1,1,0,0,0,0|1,0,1]=4 88 B15R1.129 CCCCCC(=O)NC1=CC=CC(=C1)N MCULE-7262678738 [1,1,0,0,0,0|1,0,1]=4 89 B15R1.129 CCCCCC(=O)OC1=CC(=CC=C1)C MCULE-4155214478 [1,1,0,0,0,0|1,0,1]=4 90 B15R1.551 CCCNC(=O)C(=CC1=CC=CC=C1)C MCULE-6933973944 [1,1,0,0,0,0|1,0,1]=4 91 B15R1.964 CCC(C)NCC(=CC1=CC=CC=C1)C MCULE-7009423127 [1,1,0,0,0,0|1,0,0]=3 92 B15R1.964 CCC(C)NCC(=CC1=CC=CC=C1)C MCULE-7293168607 [1,1,0,0,0,0|1,0,0]=3 93 B15R1.1081 CC(=CC1=CC=CC=C1)CNCC(C)C MCULE-8604764158 [1,1,0,0,0,0|1,0,0]=3 94 B15R1.1081 CC(=CC1=CC=CC=C1)CNCC(C)C MCULE-8856358437 [1,1,0,0,0,0|1,0,0]=3 95 B15R1.1409 CCCCCC(=O)NC1=C(C=CC=C1)Br MCULE-8200055812 [1,1,0,0,0,0|1,0,1]=4 96 B15R1.1409 CCCCCC(=O)NC1=C(C=CC=C1)C MCULE-1741322939 [1,1,0,0,0,0|1,0,1]=4 97 B15R1.1409 CCCCCC(=O)NC1=CC=CC=C1Cl MCULE-8257278883 [1,1,0,0,0,0|1,0,1]=4 98 B15R1.1409 CCCCCC(=O)OC1=C(C=CC=C1)Cl MCULE-1925559801 [1,1,0,0,0,0|1,0,1]=4 99 B15R1.1047 CCCCC(CC)C(=O)C1=CC=CC=C1 MCULE-6821801530 [1,1,0,0,0,0|1,0,1]=4 100 B15R1.1047 CCCCN(CC)C(=O)C1=CC=CC=C1 MCULE-3354488032 [1,1,0,0,0,0|2,0,0]=4 101 B15R1.33 CCCCCCC(=NO)C1=NC=CC=C1 MCULE-7434168961 [0,1,0,0,1,0|2,0,0]=4 102 B15R1.33 NCCCCC/C(=N/O)/C1=CC=NC=C1 MCULE-1579255115 [0,1,0,0,1,0|2,0,0]=4 103 B15R1.33 NCCCCC/C(=N/O)/C1=CC=NC=C1 MCULE-5828797949 [0,1,0,0,1,0|2,0,0]=4 104 B15R1.33 NCCCCC/C(=N\O)/C1=CC=CN=C1 MCULE-4647535992 [0,1,0,0,1,0|2,0,0]=4 105 B15R1.33 NCCCCC/C(=N\O)/C1=CC=CN=C1 MCULE-9809499667 [0,1,0,0,1,0|2,0,0]=4 106 B15R1.33 NCCCCC/C(=N\O)/C1=NC=CC=C1 MCULE-1294875825 [0,1,0,0,1,0|2,0,0]=4 107 B15R1.33 NCCCCC/C(=N\O)/C1=NC=CC=C1 MCULE-4986582187 [0,1,0,0,1,0|2,0,0]=4 108 B15R1.33 NCCCCCC(=NO)C1=CC=CC=N1 MCULE-7410393090 [0,1,0,0,1,0|2,0,0]=4 109 B15R1.33 NCCCCCC(=NO)C1=CC=CC=N1 MCULE-8462152016 [0,1,0,0,1,0|2,0,0]=4 110 B15R1.33 NCCCCCC(=NO)C1=CC=CN=C1 MCULE-1467688548 [0,1,0,0,1,0|2,0,0]=4 111 B15R1.33 NCCCCCC(=NO)C1=CC=CN=C1 MCULE-3078552620 [0,1,0,0,1,0|2,0,0]=4 112 B15R1.33 NCCCCCC(=NO)C1=CC=NC=C1 MCULE-1547927254 [0,1,0,0,1,0|2,0,0]=4 113 B15R1.33 NCCCCCC(=NO)C1=CC=NC=C1 MCULE-9554252881 [0,1,0,0,1,0|2,0,0]=4 114 B15R1.101 CCCCCC(CC)C1=CC=C(C=C1)O MCULE-3228388372 [0,1,0,0,1,0|1,0,1]=4 115 B15R1.3402 CCCCCC(CC)C1=CC=CC=C1O MCULE-4987980625 [0,1,0,0,1,0|1,0,1]=4 116 B15R2.31 CC1CCCN(C1)CC2=CC=CC=C2 MCULE-3064651626 [1,0,0,1,0,0|1,0,1]=4 117 B15R2.31 C[C@@H]1CCCN(C1)CC2=CC=CC=C2 MCULE-4876107295 [1,0,0,1,0,0|1,0,1]=4 118 B15R2.54 O=C1CCCCCC1C2=CC=CC=C2 MCULE-8664939194 [1,0,0,1,0,0|0,0,2]=4 119 B15R2.64 O=C(NC1=CC=CC=C1)C2CCCC2 MCULE-1588113112 [1,0,0,1,0,0|1,0,1]=4 120 B15R2.1435 CC1=CC2=C(N1CCCN)C=CC=C2 MCULE-1216510633 [1,0,0,1,0,0|2,0,0]=4 121 B15R2.1435 CC1=CC2=C(N1CCCO)C=CC=C2 MCULE-2511829188 [1,0,0,1,0,0|2,0,0]=4 122 B15R2.1435 CCCCN1C(=CC2=C1C=CC=C2)C MCULE-1333885912 [1,0,0,1,0,0|1,0,0]=3 123 B15R2.1435 CCCCN1C(=NC2=C1C=CC=C2)C MCULE-6276702756 [1,0,0,1,0,0|2,0,0]=4 124 B15R2.1435 CCCCN1C2=CC=CC=C2N=C1C MCULE-7034687601 [1,0,0,1,0,0|2,0,0]=4 125 B15R2.1435 CCCC[N+]1=C(SC2=C1C=CC=C2)C MCULE-1738263292 [1,0,0,1,0,0|2,0,0]=4 126 B15R2.1435 CCCC[N+]1=C(SC2=C1C=CC=C2)C MCULE-3185166643 [1,0,0,1,0,0|2,0,0]=4 127 B15R2.2167 C1=CC=C(C=C1)C=C2CCCCCC2 MCULE-4742104519 [1,0,0,1,0,0|0,0,0]=2 128 B15R2.2167 C1=CC=C(C=C1)CN2CCCCCC2 MCULE-2109357958 [1,0,0,1,0,0|1,0,1]=4 129 B15R2.2167 C1=CC=C(C=C1)NC2=NCCCCC2 MCULE-2334956208 [1,0,0,1,0,0|2,0,0]=4 130 B15R2.2167 C1=CC=C(C=C1)NC2=NCCCCC2 MCULE-5545053937 [1,0,0,1,0,0|2,0,0]=4 131 B15R2.2203 CCCCCC1=NC2=CC=CC=C2N1 MCULE-4483339659 [1,0,0,1,0,0|2,0,0]=4 132 B15R2.2203 CCCNCC1=CC2=C(O1)C=CC=C2 MCULE-1899301814 [1,0,0,1,0,0|1,0,0]=3 133 B15R2.2203 CCCNCC1=CC2=C(O1)C=CC=C2 MCULE-1932662254 [1,0,0,1,0,0|1,0,0]=3 134 B15R2.2203 CNCCCC1=NC2=C(O1)C=CC=C2 MCULE-9238253007 [1,0,0,1,0,0|2,0,0]=4 135 B15R2.7956 C[N+]1(CCCCC1)CC2=CC=CC=C2 MCULE-1342847749 [1,0,0,1,0,0|1,0,1]=4 136 B15R2.7956 C[N+]1(CCCCC1)CC2=CC=CC=C2 MCULE-9716480280 [1,0,0,1,0,0|1,0,1]=4 137 B15R2.7956 OC1(CCCCC1)CC2=CC=CC=C2 MCULE-7871950599 [1,0,0,1,0,0|0,0,2]=4 138 B15R2.21 OCC1CCCCN1C2=CC=CC=C2 MCULE-8389121221 [1,0,0,1,0,0|1,0,1]=4 139 B15R2.38 O=C1CCCCC1=CC2=CC=CC=C2 MCULE-1216184869 [1,0,0,1,0,0|0,0,2]=4 140 B15R2.38 O=C\1CCCC/C1=C\C2=CC=CC=C2 MCULE-7248069865 [1,0,0,1,0,0|0,0,2]=4 141 B15R2.38 O[C@H]1CCCC[C@@H]1OC2=CC=CC=C2 MCULE-3583531778 [1,0,0,1,0,0|1,0,1]=4 142 B15R2.44 CCCN1C2=CC=CC=C2N=C1CO MCULE-3919448674 [1,0,0,1,0,0|2,0,0]=4 143 B15R2.352 CCCCC1=CC=C2C=CC=CC2=C1 MCULE-5002783646 [1,0,0,1,0,0|1,0,1]=4 144 B15R2.1 OCC1CCC(=NO1)C2=CC=CC=C2 MCULE-1599331722 [0,0,0,1,1,0|2,0,0]=4 145 B15R2.131 NCC(C1=CC=CC=C1)C2CCCC2 MCULE-3088720054 [0,0,0,1,1,0|1,0,1]=4 146 B15R2.131 NCC(C1=CC=CC=C1)C2CCCC2 MCULE-4837088789 [0,0,0,1,1,0|1,0,1]=4 147 B15R2.131 OCC(C1=CC=CC=C1)N2CCCC2 MCULE-4338891396 [0,0,0,1,1,0|1,0,1]=4 148 B15R2.4980 NCC1(CCCCC1)C2=CC=CC=C2 MCULE-2284536074 [0,0,0,1,1,0|1,0,1]=4 149 B15R2.4980 OCC1(CCCCC1)C2=CC=CC=C2 MCULE-8792610151 [0,0,0,1,1,0|0,0,1]=3 150 B15R2.4980 OCC1(CCCNC1)C2=CC=CC=C2 MCULE-4296688533 [0,0,0,1,1,0|1,0,1]=4 151 B15R2.4980 OCC1(CCCNC1)C2=CC=CC=C2 MCULE-7389547495 [0,0,0,1,1,0|1,0,1]=4 152 B15R2.4980 OCC1(CCNCC1)C2=CC=CC=C2 MCULE-9000346154 [0,0,0,1,1,0|1,0,1]=4 153 B15R2.4980 OCC1(CCOCC1)C2=CC=CC=C2 MCULE-7518422871 [0,0,0,1,1,0|1,0,1]=4 154 B17R2.7393 C1=CC=C(C=C1)NN=C2CCCCCCC2 MCULE-4728160181 [0,0,0,1,0,1|2,0,0]=4 155 B17R2.2104 CCCC[C@@H](N)C1=CC2=C(C=CC=C2)C=C1 MCULE-1218418702 [0,1,0,1,0,0|1,0,1]=4 156 B17R2.2104 CCCC[C@@H](N)C1=CC2=C(C=CC=C2)C=C1 MCULE-2475466268 [0,1,0,1,0,0|1,0,1]=4 157 B17R2.2104 CCCC[C@H](N)C1=CC2=C(C=CC=C2)C=C1 MCULE-4297943966 [0,1,0,1,0,0|1,0,1]=4 158 B17R2.2104 CCCC[C@H](N)C1=CC2=C(C=CC=C2)C=C1 MCULE-4874781028 [0,1,0,1,0,0|1,0,1]=4 159 B17R2.476 CC1CCCC(=CC2=CC=C(C=C2)Cl)C1=O MCULE-1878315208 [0,1,0,1,0,0|0,0,2]=4 160 B17R2.476 CC1CCCC(=CC2=CC=C(C=C2)O)C1=O MCULE-6581011859 [0,1,0,1,0,0|0,0,2]=4 161 B17R2.6265 CCCCN1C2=CC=C(C=C2N=C1CO)N MCULE-5576262299 [0,1,0,1,0,0|2,0,0]=4 162 B17R2.6265 CCCCN1C2=CC=C(C=C2N=C1CO)N MCULE-9573822440 [0,1,0,1,0,0|2,0,0]=4 163 B17R2.5747 CCCCCN1C2=CC=CC=C2N=C1CC MCULE-1834327645 [0,1,0,1,0,0|2,0,0]=4 164 B17R2.5747 CCCCCN1C2=CC=CC=C2N=C1CC MCULE-2012534218 [0,1,0,1,0,0|2,0,0]=4 165 B17R2.5747 CCCCCN1C2=CC=CC=C2N=C1CO MCULE-6097852214 [0,1,0,1,0,0|1,0,0]=3 166 B17R2.5747 CCOCCN1C2=CC=CC=C2N=C1CO MCULE-5730576257 [0,1,0,1,0,0|2,0,0]=4 167 B17R2.81746 NC(C1=CC=CC=C1)C2(CCCCC2)CO MCULE-5093655566 [0,1,0,1,0,0|0,0,2]=4 168 B17R2.81746 NC(C1=CC=CC=C1)C2(CCCCC2)CO MCULE-5569568168 [0,1,0,1,0,0|0,0,2]=4 169 B17R2.29 CC1CCCC(=CC2=CC=CC=C2)C1=NO MCULE-1837979092 [0,1,0,1,0,0|0,0,1]=3 170 B17R2.6435 CCCCN1C(=NC2=C1C=CC=C2)COC MCULE-2124583628 [0,1,0,1,0,0|2,0,0]=4 171 B17R2.6435 CCCCN1C2=CC=CC=C2N=C1CCO MCULE-6432551741 [0,1,0,1,0,0|2,0,0]=4 172 B17R2.6435 CCCCN1C2=CC=CC=C2N=C1COC MCULE-9643476553 [0,1,0,1,0,0|2,0,0]=4 173 B17R2.6436 CCCCN1C2=CC=CC=C2N=C1C(C)O MCULE-2957858793 [0,1,0,1,0,0|2,0,0]=4 174 B17R2.12116 CCCNCC1=CC2=CC=CC=C2N=C1O MCULE-1436677458 [0,1,0,1,0,0|1,0,1]=4 175 B17R2.1273 CC(C)CCN1C2=CC=CC=C2N=C1CO MCULE-8566501948 [0,1,0,1,0,0|2,0,0]=4 176 B17R2.1274 CCC(C)CN1C2=CC=CC=C2N=C1CO MCULE-4044516733 [0,1,0,1,0,0|2,0,0]=4 177 B17R3.1829 C1=CC2=CC3=C(CCCCC3)N=C2C=C1 MCULE-8486569540 [0,0,0,2,0,0|1,0,1]=4 178 B17R3.1917 C1=CC2=C(C=C1)CCC(=C2)N3CCCC3 MCULE-7216512676 [0,0,0,2,0,0|2,0,0]=4 179 B17R3.877 OCC1=CC2=C(N1CC3CC3)C=CC=C2 MCULE-7250520303 [0,0,0,2,0,0|1,0,0]=3 180 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 MCULE-4945537209 [1,0,0,0,1,0|0,0,1]=3 181 B13R1.24 CCCCCC(=O)C1=CC=CN=C1 MCULE-8670423713 [1,0,0,0,1,0|1,0,1]=4 182 B13R1.24 CCCCCC(=O)C1=CC=NC=C1 MCULE-5165134362 [1,0,0,0,1,0|1,0,1]=4 183 B13R1.24 CCCCCC(=O)C1=NC=CC=C1 MCULE-8157527361 [1,0,0,0,1,0|1,0,1]=4 184 B13R1.24 CCCCCC(N)C1=CC=CC=C1 MCULE-9743644044 [1,0,0,0,1,0|1,0,1]=4 185 B13R1.24 CCCCCC(O)C1=CC=CC=C1 MCULE-4426936102 [1,0,0,0,1,0|0,0,1]=3 186 B13R1.24 CCCCC[C@@H](N)C1=CC=CC=C1 MCULE-2032681584 [1,0,0,0,1,0|1,0,1]=4 187 B13R1.24 CCCCC[C@@H](N)C1=CC=CC=C1 MCULE-6522041604 [1,0,0,0,1,0|1,0,1]=4 188 B13R1.24 CCCCC[C@H](N)C1=CC=CC=C1 MCULE-1166195890 [1,0,0,0,1,0|1,0,1]=4 189 B13R1.24 CCCCC[C@H](N)C1=CC=CC=C1 MCULE-5300569827 [1,0,0,0,1,0|1,0,1]=4 190 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 MCULE-8546561963 [1,0,0,0,1,0|1,0,1]=4 191 B13R1.24 CCCCNC(C)C1=CC=CC=C1 MCULE-1129178205 [1,0,0,0,1,0|1,0,1]=4 192 B13R1.24 CCCCNC(C)C1=CC=CC=C1 MCULE-1434309674 [1,0,0,0,1,0|1,0,1]=4 193 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 MCULE-4166908075 [1,0,0,0,1,0|1,0,1]=4 194 B13R1.24 CCCCSC(=O)C1=CC=CC=C1 MCULE-6520324020 [1,0,0,0,1,0|1,0,1]=4 195 B13R1.24 CCCNCC(C)C1=CC=CC=C1 MCULE-1054038442 [1,0,0,0,1,0|1,0,1]=4 196 B13R1.24 CCCNCC(C)C1=CC=CC=C1 MCULE-5245418759 [1,0,0,0,1,0|1,0,1]=4 197 B13R1.24 CCNCCC(=O)C1=CC=CC=C1 MCULE-3483176187 [1,0,0,0,1,0|1,0,1]=4 198 B13R1.24 CCNCCC(=O)C1=CC=CC=C1 MCULE-5826770945 [1,0,0,0,1,0|1,0,1]=4 199 B13R1.24 CN(CCCCN)C1=CC=CC=C1 MCULE-3356090715 [1,0,0,0,1,0|2,0,0]=4 200 B13R1.24 CN(CCCCO)C1=CC=CC=C1 MCULE-2374281685 [1,0,0,0,1,0|2,0,0]=4 201 B13R1.24 O=C(CCCCBr)C1=CC=CC=C1 MCULE-1960837317 [1,0,0,0,1,0|1,0,1]=4 202 B13R1.24 O=C(CCCCCl)C1=CC=CC=C1 MCULE-6658697485 [1,0,0,0,1,0|1,0,1]=4 203 B13R1.26 NCCCC(=NO)C1=CC=CC=C1 MCULE-1882275148 [1,0,0,0,1,0|2,0,0]=4 204 B13R1.26 NCCCC(=NO)C1=CC=CC=C1 MCULE-3784063073 [1,0,0,0,1,0|2,0,0]=4 205 B15R1.78 CCCCCC(=NNC1=CC=CC=C1)C MCULE-7353045519 [1,0,0,0,0,1|1,0,0]=3 206 B15R1.78 CCCCCC(=O)OCC1=CC=CC=C1 MCULE-4392468393 [1,0,0,0,0,1|0,0,2]=4 207 B15R1.78 CCCCCC(O)C#CC1=CC=CC=C1 MCULE-3037983242 [1,0,0,0,0,1|0,0,2]=4 208 B15R1.78 CCCCOC(=O)/C=C/C1=CC=CC=C1 MCULE-1597785199 [1,0,0,0,0,1|1,0,1]=4 209 B15R1.78 CCCCOC(=O)C=CC1=CC=CC=C1 MCULE-7483218833 [1,0,0,0,0,1|1,0,1]=4