0 B9R0.1 CC(C)CCCC(C)CN Z5875145536 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.1 CNC(=O)CCNC(C)C Z1449756290 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.6 CCSCCC(C)NC Z1238713350 [1,0,0,0,0,0|1,0,1]=3 3 B8R0.7 CNCCCCC(=O)O Z3034937142 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.7 CNCCCCC(C)C Z5530305220 [1,0,0,0,0,0|0,0,2]=3 5 B8R0.7 CNCCCCN(C)C Z594229344 [1,0,0,0,0,0|1,0,1]=3 6 B8R0.7 CNCCCNC(=O)C Z1269638441 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.7 COCCCOC(=O)C Z1123440688 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.28 CC(=CCNC(=N)N)C Z2687203850 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.28 CC(C)CCNC(=N)N Z1089993920 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.28 CC(C)CCNC(=O)N Z56904577 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.28 CC(C)CCNC(=S)N Z56930716 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.28 CC(C)CNCC(C)C Z90514122 [1,0,0,0,0,0|1,0,2]=4 15 B8R0.28 CC(C)COCC(C)N Z1262398413 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.28 CC(C)NCCN(C)C Z137545666 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.28 CC(O)CCCN(C)C Z902046982 [1,0,0,0,0,0|2,0,1]=4 19 B10R0.3 CC(=CCC/C(=C/C=O)/C)C Z104478042 [0,1,0,0,0,0|1,0,2]=4 20 B10R0.3 CC(=CCC/C(=C/CO)/C)C Z104473544 [0,1,0,0,0,0|1,0,1]=3 21 B10R0.3 CC(=CCCC(C)CC=O)C Z104497952 [0,1,0,0,0,0|1,0,1]=3 22 B10R0.65 C=CC(C)(O)CCC=C(C)C Z1255402668 [0,1,0,0,0,0|1,0,1]=3 23 B10R1.13 CC1CCC(=C(Cl)Cl)CC1 Z1486001771 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.13 CC1CCC(CN1)C(=O)N Z300072132 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.13 CC1CCC(CN1)C(=O)O Z3211705986 [0,0,0,1,0,0|2,0,1]=4 26 B10R1.13 CC1CCC(CN1)C(C)C Z1230088800 [0,0,0,1,0,0|0,0,2]=3 27 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)N Z3302651128 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O Z3064248894 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.14 CNC(C)C1=CC=C(S1)C Z594413646 [0,0,0,1,0,0|1,0,2]=4 30 B10R1.31 CNC1CCN(C1)C(C)C Z415646788 [0,0,0,1,0,0|1,0,1]=3 31 B10R1.54 CC1CC(CN1)CC(=O)O Z4762765581 [0,0,0,1,0,0|2,0,1]=4 32 B10R1.171 CNC1CCCC(C1)(C)C Z4946633805 [0,0,0,1,0,0|0,0,2]=3 33 B10R1.171 CNC1CCOC(C1)(C)C Z3153411317 [0,0,0,1,0,0|1,0,1]=3 34 B10R1.171 COC1CCNC(C1)(C)C Z3716847980 [0,0,0,1,0,0|2,0,1]=4 35 B10R1.197 CCC1CCNC(=O)CC1 Z425362288 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.350 CC(C)CCCC1(CO1)C Z2751120900 [0,0,0,1,0,0|1,0,2]=4 37 B8R0.9 CCC(C)CCC(=O)C Z955111260 [0,0,0,0,1,0|2,0,0]=3 38 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,0,0,0,1,0|3,0,0]=4 39 B8R0.9 CCC(O)CCC(C)C Z838962512 [0,0,0,0,1,0|2,0,1]=4 40 B8R0.9 CNC(C)CCC(C)C Z5023051600 [0,0,0,0,1,0|0,0,1]=2 41 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,0,0,0,1,0|3,0,0]=4 42 B8R0.9 COC(C)CNC(C)C Z991381618 [0,0,0,0,1,0|2,0,1]=4 43 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,0,0,0,1,0|3,0,0]=4 44 B7R0.1 CCCCCCNC Z5419328797 [2,0,0,0,0,0|0,0,2]=4 45 B7R0.1 CNCCCCOC Z875082126 [2,0,0,0,0,0|1,0,1]=4 46 B7R0.3 CCCCC(C)NC Z446022384 [2,0,0,0,0,0|0,0,1]=3 47 B7R0.3 CCSCC(C)NC Z1238713281 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.4 CC(=O)NCCCN Z295405102 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.4 CC(C)CCCCN Z1250132304 [2,0,0,0,0,0|0,0,2]=4 50 B7R0.4 CC(C)OCCCN Z2677507870 [2,0,0,0,0,0|1,0,1]=4 51 B7R0.4 CCCCCC(C)N Z104495176 [2,0,0,0,0,0|0,0,2]=4 52 B7R0.4 CN(C)CCCCN Z285162754 [2,0,0,0,0,0|1,0,1]=4 53 B7R0.4 CNCCCC(=O)O Z57043473 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.4 CNCCCN(C)C Z138118060 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.4 CNCCNC(=O)C Z1456777974 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.4 COCCCC(=O)C Z406376722 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.4 COCCCN(C)C Z2894648941 [2,0,0,0,0,0|2,0,0]=4 58 B9R0.24 COC(=O)CCC(C)OC Z1634338049 [1,1,0,0,0,0|2,0,0]=4 59 B9R0.53 CC(C)CC(C)CC(C)C Z1255415595 [1,1,0,0,0,0|0,0,2]=4 60 B9R0.53 CC(C)CC(N)CC(C)C Z1263714098 [1,1,0,0,0,0|0,0,2]=4 61 B9R0.56 CN(C)CCCC(C)(C)N Z1184860832 [1,1,0,0,0,0|1,0,1]=4 62 B9R0.42 CNC(C)CN(C)C(=O)C Z4994365145 [0,1,0,0,1,0|2,0,0]=4 63 B11R0.6 CC(=CCCC(C)CC(=O)N)C Z1255379203 [0,2,0,0,0,0|1,0,1]=4 64 B11R0.6 CC(=CCCC(C)CC(=O)O)C Z1255423445 [0,2,0,0,0,0|1,0,1]=4 65 B9R1.1 CC[C@@H]1CC[C@H](NC1)C Z3337244239 [1,0,0,1,0,0|0,0,2]=4 66 B9R1.2 CNC1CCCC(C1)C Z367452444 [1,0,0,1,0,0|0,0,2]=4 67 B9R1.2 CNC1CCOC(C1)C Z4657959047 [1,0,0,1,0,0|1,0,1]=4 68 B9R1.21 CCN1CCC(C1)NC Z415647768 [1,0,0,1,0,0|1,0,1]=4 69 B9R1.21 CNC1CCC(C1)SC Z1245790494 [1,0,0,1,0,0|1,0,1]=4 70 B9R1.49 CC1CCCC(NC1)C Z1203830904 [1,0,0,1,0,0|0,0,2]=4 71 B9R1.49 C[C@@H]1CCO[C@@H](CN1)C Z3025866678 [1,0,0,1,0,0|1,0,1]=4 72 B9R1.50 CC1CCCCCCN1 Z3487835965 [1,0,0,1,0,0|0,0,2]=4 73 B9R1.89 CNC1CCCCCC1 Z102766800 [1,0,0,1,0,0|0,0,2]=4 74 B9R1.89 CNC1CCCNCC1 Z1171155633 [1,0,0,1,0,0|1,0,1]=4 75 B9R1.89 CNC1CCCOCC1 Z5794487564 [1,0,0,1,0,0|1,0,1]=4 76 B9R1.89 NCC1CCC=CCC1 Z2895896095 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.118 CC1(CC=CCC1)CN Z3482082462 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.118 CNC1(CCCCC1)C Z4646023133 [1,0,0,1,0,0|0,0,2]=4 79 B9R1.118 CNC1(CCOCC1)C Z3813478225 [1,0,0,1,0,0|1,0,1]=4 80 B9R1.6 CC(=O)C1=CNCCC1 Z238880918 [1,0,0,1,0,0|1,0,1]=4 81 B9R1.6 CC(C)C1CCCNC1 Z1201627016 [1,0,0,1,0,0|0,0,2]=4 82 B9R1.6 CN(C)C1CCCNC1 Z415658510 [1,0,0,1,0,0|1,0,1]=4 83 B9R1.9 CNCCC1CN(C1)C Z3671584205 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.13 CC(=O)OC1CCNC1 Z1201627165 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.13 CC(C)CC1CCNC1 Z979422218 [1,0,0,1,0,0|0,0,2]=4 86 B9R1.13 CN(C)CC1CCNC1 Z976737048 [1,0,0,1,0,0|1,0,1]=4 87 B9R1.48 CN1CCCNC(=O)C1 Z1031052044 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.84 CN(C)CCC1CNC1 Z3847897945 [1,0,0,1,0,0|1,0,1]=4 89 B9R1.148 CC1(CCCCNC1)C Z1504672380 [1,0,0,1,0,0|0,0,2]=4 90 B9R1.148 CC1(CNCCCO1)C Z1269638431 [1,0,0,1,0,0|1,0,1]=4 91 B9R1.35 CC(=O)N1CCC(C1)N Z1421529530 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.35 CC(=O)N1CC[C@H](C1)N Z4485354356 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.35 CC(C)C1CNC(=O)C1 Z1089964728 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.35 CN(C)[C@@H]1CC[C@@H](C1)N Z2568756766 [1,0,0,1,0,0|1,0,1]=4 95 B9R1.53 CN(C)C[C@H]1C[C@@H](C1)N Z2310678163 [1,0,0,1,0,0|1,0,1]=4 96 B9R1.66 CC1(CC(CCS1)N)C Z2740389324 [1,0,0,1,0,0|1,0,1]=4 97 B9R1.66 CC1(CCNC(=O)C1)C Z1203732167 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.66 CC1CC(CCO1)(C)N Z2740753677 [1,0,0,1,0,0|1,0,1]=4 99 B9R1.66 CC1CCCC(N1)(C)C Z2939852869 [1,0,0,1,0,0|0,0,2]=4 100 B9R1.150 CC1(CCCC1(C)N)C Z3479673019 [1,0,0,1,0,0|0,0,2]=4 101 B9R1.10 CC1CCC(CN1)(C)C Z3244598361 [0,0,0,1,1,0|0,0,1]=3 102 B9R1.10 CC1CNC(CN1)(C)C Z1198309277 [0,0,0,1,1,0|1,0,1]=4 103 B9R1.10 C[C@H]1COC(CN1)(C)C Z1837067759 [0,0,0,1,1,0|1,0,1]=4 104 B9R1.95 CNC1CN(C1)C(C)C Z4968101028 [0,0,0,1,1,0|1,0,1]=4 105 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O Z2681202678 [0,0,0,1,1,0|2,0,0]=4 106 B9R1.133 CNC1CCC(C1)(C)C Z1946005329 [0,0,0,1,1,0|0,0,1]=3 107 B11R1.124 CNCC1CCN(C1)C(=O)C Z1457031523 [0,1,0,1,0,0|2,0,0]=4 108 B11R1.166 CC(=C1CC[C@H](CC1=O)C)C Z1255364872 [0,1,0,1,0,0|1,0,1]=4 109 B11R1.22 COC(=O)C1CCC(NC1)C Z3211706034 [0,1,0,1,0,0|1,0,1]=4 110 B11R1.3 CNC1CCN(CC1)C(=O)C Z4925622506 [0,1,0,1,0,0|2,0,0]=4 111 B11R1.3 CNC1CCN(CC1)C(C)C Z102766948 [0,1,0,1,0,0|1,0,1]=4 112 B11R2.845 CC(=O)N1C[C@@H]2C[C@H]1CN2 Z3719032693 [0,0,0,2,0,0|2,0,0]=4 113 B11R2.845 CC(C)N1C[C@@H]2C[C@H]1CN2 Z1203747934 [0,0,0,2,0,0|1,0,1]=4 114 B11R2.845 CN(C)[C@@H]1C[C@H]2C[C@@H]1CN2 Z4927478699 [0,0,0,2,0,0|1,0,1]=4 115 B7R0.6 CC(C)CCC(=N)N Z2522503133 [1,0,0,0,1,0|2,0,0]=4 116 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,0,0,0,1,0|2,0,0]=4 117 B7R0.6 CC(C)CNC(C)C Z361996484 [1,0,0,0,1,0|1,0,1]=4 118 B7R0.6 CC(N)CCC(=O)O Z1235963367 [1,0,0,0,1,0|2,0,0]=4 119 B7R0.6 CC(N)CCN(C)C Z316119490 [1,0,0,0,1,0|1,0,0]=3 120 B7R0.6 CC(N)CCS(=O)C Z1269750451 [1,0,0,0,1,0|2,0,0]=4 121 B7R0.6 CN(C)CCN(C)C Z56755629 [1,0,0,0,1,0|2,0,0]=4 122 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,0,0,0,2,0|2,0,0]=4