0 B14R2.21 CC1CCCC(N1)C2=CC=CC=C2 Z1198181090 [1,0,0,0,0,0|3,0,0]=4 1 B14R2.21 CC1CNCC(C1)C2=CC=CC=C2 Z1492427258 [1,0,0,0,0,0|3,0,0]=4 2 B14R2.21 CN1CCNC(C1)C2=CC=CC=C2 Z104508454 [1,0,0,0,0,0|1,0,0]=2 3 B14R2.21 NC1CCCC(C1)C2=CC=CC=C2 Z1233210460 [1,0,0,0,0,0|3,0,0]=4 4 B14R2.21 NC1CCOC(C1)C2=CC=CC=C2 Z1694636311 [1,0,0,0,0,0|2,0,0]=3 5 B14R2.21 NC1CCOC(C1)C2=CC=NC=C2 Z1192341401 [1,0,0,0,0,0|3,0,0]=4 6 B14R2.21 N[C@@H]1CCO[C@H](C1)C2=CC=CC=C2 Z5473978901 [1,0,0,0,0,0|2,0,0]=3 7 B14R2.21 O=C1CCCC(C1)C2=CC=CC=C2 Z1198152074 [1,0,0,0,0,0|3,0,0]=4 8 B14R2.21 OC1CCOC(C1)C2=CC=CC=C2 Z1192341080 [1,0,0,0,0,0|2,0,0]=3 9 B14R2.21 O[C@@H]1CCN[C@@H](C1)C2=CC=CC=C2 Z3334408669 [1,0,0,0,0,0|3,0,0]=4 10 B14R2.24 CC1CCNCC1C2=CC=CC=C2 Z2803578072 [1,0,0,0,0,0|3,0,0]=4 11 B14R2.24 CC1CNCCC1C2=CC=CC=C2 Z1259303197 [1,0,0,0,0,0|3,0,0]=4 12 B14R2.24 CC1SCCNC1C2=CC=CC=C2 Z1218937147 [1,0,0,0,0,0|2,0,0]=3 13 B14R2.24 C[C@@H]1CCNC[C@@H]1C2=CC=CC=C2 Z2831446470 [1,0,0,0,0,0|3,0,0]=4 14 B14R2.24 O=C1NCCNC1C2=CC=CC=C2 Z926909642 [1,0,0,0,0,0|2,0,1]=4 15 B14R2.24 O=C1NCCSC1C2=CC=CC=C2 Z337709354 [1,0,0,0,0,0|1,1,1]=4 16 B14R1.60 C#CCN(C)C(C)CC1=CC=CC=C1 Z778141970 [0,0,1,0,0,0|1,0,1]=3 17 B14R1.60 C#CCN(C)[C@H](C)CC1=CC=CC=C1 Z2768168341 [0,0,1,0,0,0|1,0,1]=3 18 B14R1.60 CC(CCN)N(C)CC1=CC=CC=C1 Z802903566 [0,0,1,0,0,0|3,0,0]=4 19 B14R1.85 CC(C(O)C1=CC=CC=C1)N(C)C=O Z2719291639 [0,0,1,0,0,0|1,0,1]=3 20 B14R1.85 CCN(C)C(C)C(O)C1=CC=CC=C1 Z854201840 [0,0,1,0,0,0|0,0,0]=1 21 B14R1.121 CCCCNC(CC)C1=CC=CC=C1 Z334909176 [0,0,1,0,0,0|2,0,0]=3 22 B14R1.521 CCCC(C(=O)NC)C1=CC=CC=C1 Z32016941 [0,0,1,0,0,0|2,0,1]=4 23 B14R1.1027 COC(C(=O)N(C)C)C1=CC=CC=C1 Z434621834 [0,0,1,0,0,0|1,0,1]=3 24 B16R2.35 CN1CCNC(C1=O)CC2=CC=CC=C2 Z3272605703 [0,0,0,0,0,1|2,0,1]=4 25 B13R1.42 CC(CCO)NCC1=CC=CC=C1 Z1241678662 [1,0,1,0,0,0|2,0,0]=4 26 B13R1.42 CC(CCO)OCC1=CC=CC=C1 Z1806465434 [1,0,1,0,0,0|2,0,0]=4 27 B13R1.44 C#CCNC(C)CC1=CC=CC=C1 Z1633398357 [1,0,1,0,0,0|1,0,1]=4 28 B13R1.44 CC(CC1=NC=CC=C1)NCCF Z2582971155 [1,0,1,0,0,0|2,0,0]=4 29 B13R1.44 CN(CCCO)CC1=CC=CC=C1 Z168889210 [1,0,1,0,0,0|2,0,0]=4 30 B13R1.44 NC(CCCO)CC1=CC=CC=C1 Z1198157366 [1,0,1,0,0,0|2,0,0]=4 31 B13R1.24 CC(OCCC#N)C1=CC=CC=C1 Z317037870 [1,0,1,0,0,0|2,0,0]=4 32 B13R1.24 CC(OCCCN)C1=CC=CC=C1 Z99601222 [1,0,1,0,0,0|2,0,0]=4 33 B13R1.24 CCCCNC(C)C1=CC=CC=C1 Z1250132346 [1,0,1,0,0,0|2,0,0]=4 34 B13R1.24 COCCNC(C)C1=CC=CC=C1 Z137543082 [1,0,1,0,0,0|2,0,0]=4 35 B13R1.26 CCC(OCCO)C1=CC=CC=C1 Z1896226330 [1,0,1,0,0,0|1,0,0]=3 36 B13R1.26 CCCNC(CC)C1=CC=CC=C1 Z316257194 [1,0,1,0,0,0|1,0,0]=3 37 B13R1.26 CCNCC(CC)C1=CC=CC=C1 Z163644928 [1,0,1,0,0,0|2,0,0]=4 38 B13R1.405 CCNC(C1=CN=CC=C1)C(C)C Z513800308 [1,0,1,0,0,0|2,0,0]=4 39 B13R1.532 CCC(C(=O)NC)C1=CC=CC=C1 Z68248483 [1,0,1,0,0,0|1,0,1]=4 40 B13R1.28 CCCCCNCC1=CC=CC=C1 Z4424628864 [1,0,1,0,0,0|2,0,0]=4 41 B13R1.28 CNCCCOCC1=CC=CC=C1 Z164328298 [1,0,1,0,0,0|2,0,0]=4 42 B13R1.28 NCCCCOCC1=CC=CC=C1 Z285164088 [1,0,1,0,0,0|2,0,0]=4 43 B13R1.337 CN(C)CCNCC1=CC=NC=C1 Z90512844 [1,0,1,0,0,0|2,0,0]=4 44 B13R1.337 CN(C)CCNCC1=NC=CC=C1 Z90512806 [1,0,1,0,0,0|2,0,0]=4 45 B13R1.713 CN(C)CC(CN)C1=CC=CC=C1 Z431512726 [1,0,1,0,0,0|2,0,0]=4 46 B13R2.3 C1=CC(=CC=N1)C2CCCNC2 Z2092370409 [2,0,0,0,0,0|2,0,0]=4 47 B13R2.3 C1=CC(=CC=N1)C2CNCCN2 Z1198172587 [2,0,0,0,0,0|2,0,0]=4 48 B13R2.3 C1=CC(=CN=C1)C2CCCNC2 Z2380440630 [2,0,0,0,0,0|2,0,0]=4 49 B13R2.3 C1=CC(=CN=C1)C2CNCCN2 Z1198172584 [2,0,0,0,0,0|2,0,0]=4 50 B13R2.3 C1=CC(=CN=C1)C2CNCCO2 Z3235143301 [2,0,0,0,0,0|1,0,0]=3 51 B13R2.3 C1=CC=C(C=C1)C2=CCCNC2 Z2033454370 [2,0,0,0,0,0|1,0,1]=4 52 B13R2.3 C1=CC=C(C=C1)C2CCCNC2 Z2205958510 [2,0,0,0,0,0|1,0,0]=3 53 B13R2.3 C1=CC=C(C=C1)C2CNCCN2 Z1250954583 [2,0,0,0,0,0|1,0,0]=3 54 B13R2.3 C1=CC=C(C=C1)C2CNCCO2 Z283821656 [2,0,0,0,0,0|0,0,0]=2 55 B13R2.3 C1=CC=C(C=C1)C2COCCN2 Z1097086259 [2,0,0,0,0,0|2,0,0]=4 56 B13R2.3 C1=CC=C(C=C1)C2CSCCN2 Z1201621925 [2,0,0,0,0,0|2,0,0]=4 57 B13R2.3 C1=CN=C(C=C1)C2CCCNC2 Z2211231363 [2,0,0,0,0,0|2,0,0]=4 58 B13R2.3 C1=CN=C(C=C1)C2CNCCO2 Z3235143299 [2,0,0,0,0,0|1,0,0]=3 59 B15R1.26 CCN(C)CCCOC1=CC=C(C=C1)Cl Z654531468 [0,1,1,0,0,0|2,0,0]=4 60 B15R1.452 CCN(CC)CCNCC1=CC=CC=C1 Z111521758 [0,1,1,0,0,0|1,0,0]=3 61 B15R2.28 NC1CCOC(C1)C2=CC=C(C=C2)F Z1655104222 [1,1,0,0,0,0|2,0,0]=4 62 B15R2.30 N[C@@H]1CCO[C@H](C1)C2=CC(=CC=C2)Cl Z5496593365 [1,1,0,0,0,0|2,0,0]=4 63 B15R2.332 CN1CCOC(C1)C2=C(C=CC=C2)Br Z1002816592 [1,1,0,0,0,0|0,0,0]=2 64 B15R2.21 CNC1CCCCC1C2=CC=CC=C2 Z446022472 [1,1,0,0,0,0|2,0,0]=4 65 B15R2.21 NCC1CCCCC1C2=CC=CC=C2 Z1251356498 [1,1,0,0,0,0|2,0,0]=4 66 B15R2.21 NCC1CCCOC1C2=CC=CC=C2 Z600427306 [1,1,0,0,0,0|1,0,0]=3 67 B15R2.21 OC[C@@H]1CCCC[C@@H]1C2=CC=CC=C2 Z2335647089 [1,1,0,0,0,0|2,0,0]=4 68 B15R2.308 CC1=CC=C(C=C1)C2NCCCC2C Z317025316 [1,1,0,0,0,0|2,0,0]=4 69 B15R2.308 CC1=CC=C(C=C1)[C@@H]2OCCC[C@H]2N Z2934509698 [1,1,0,0,0,0|2,0,0]=4 70 B15R2.308 C[C@@H]1NCCO[C@H]1C2=CC=C(C=C2)Br Z2514791747 [1,1,0,0,0,0|0,0,0]=2 71 B15R2.308 N[C@@H]1CCCO[C@H]1C2=CC=C(C=C2)Cl Z2739767737 [1,1,0,0,0,0|2,0,0]=4 72 B15R2.367 CC1NCCOC1(O)C2=CC=CC=C2 Z2255682666 [1,1,0,0,0,0|0,0,0]=2 73 B15R2.389 CC1COC(C(N1)C)C2=CC=CC=C2 Z405745068 [1,1,0,0,0,0|0,0,0]=2 74 B15R2.389 C[C@@H]1NC(=O)CO[C@H]1C2=CC=CC=C2 Z2309992038 [1,1,0,0,0,0|0,0,1]=3 75 B15R2.465 CC1(OCCNC1C2=CC=CC=C2)C Z3890027991 [1,1,0,0,0,0|2,0,0]=4 76 B15R2.7221 CC1=NOC(C1C)(O)C2=CC=CC=C2 Z2932618891 [0,1,0,0,1,0|2,0,0]=4 77 B15R2.1356 CN(CCF)C1CC2=C(C1)C=CC=C2 Z1414544641 [0,0,1,1,0,0|1,0,0]=3 78 B15R2.1 CNC1CCC(CC1)C2=CC=CC=C2 Z102766994 [0,0,1,1,0,0|1,0,0]=3 79 B15R2.1 CNC1CCN(CC1)C2=CC=CC=C2 Z1946849647 [0,0,1,1,0,0|2,0,0]=4 80 B15R2.1 CN[C@H]1CC[C@@H](CC1)C2=CC=CC=C2 Z2301685494 [0,0,1,1,0,0|1,0,0]=3 81 B15R2.2169 C1=CC=C(C=C1)C2CCCCCCN2 Z3158829931 [0,0,1,1,0,0|2,0,0]=4 82 B15R2.4980 CCC1(CNCCO1)C2=CC=CC=C2 Z5262256070 [0,0,1,1,0,0|0,0,0]=2 83 B15R2.4980 NCC1(COCCO1)C2=CC=CC=C2 Z3059114029 [0,0,1,1,0,0|2,0,0]=4 84 B15R2.4980 OCC1(CCCNC1)C2=CC=CC=C2 Z2696738945 [0,0,1,1,0,0|2,0,0]=4 85 B15R2.29 CN1CCC(CC1)NC2=CC=CC=C2 Z334877898 [0,0,1,1,0,0|2,0,0]=4 86 B15R2.283 OC1CCC(C1)OCC2=CC=CC=C2 Z1336620217 [0,0,1,1,0,0|2,0,0]=4 87 B15R2.1995 NCC1CC(C1)OCC2=CC=CC=C2 Z1623872045 [0,0,1,1,0,0|2,0,0]=4 88 B15R2.27836 C1=CC=C(C=C1)CNCCC2CCC2 Z1396751162 [0,0,1,1,0,0|2,0,0]=4 89 B13R1.718 CC(CN)COCC1=CC=CC=C1 Z812516860 [0,0,1,0,1,0|2,0,0]=4 90 B13R2.10 CC1CC(CN1)C2=CC=CC=C2 Z1203620755 [1,0,0,0,1,0|2,0,0]=4 91 B13R2.10 NC1CCC(C1)C2=CC=CC=C2 Z1947438117 [1,0,0,0,1,0|2,0,0]=4 92 B13R2.10 NC1COC(C1)C2=CC=CC=C2 Z4657508784 [1,0,0,0,1,0|2,0,0]=4 93 B13R2.15 CN1CCC[C@H]1C2=CN=CC=C2 Z1198150037 [1,0,0,0,1,0|2,0,0]=4 94 B13R2.15 N[C@@H]1CCO[C@H]1C2=CC=CC=C2 Z2690083974 [1,0,0,0,1,0|2,0,0]=4 95 B13R2.373 CC1C(=O)CC1C2=CC=CC=C2 Z1436543792 [0,0,0,0,2,0|2,0,0]=4 96 B13R2.373 CC1C(CC1C2=CC=CC=C2)N Z1430540182 [0,0,0,0,2,0|2,0,0]=4 97 B15R2.31 CC1CCCC(C1)NC2=CC=CC=C2 Z334877922 [1,0,0,0,0,1|2,0,0]=4