0 B17R3.35227 CC1=C2C=CC=CC2=NC3=C1CSCC3 Z976655946 [0,0,0,0,0,0|2,0,0]=2 1 B17R3.35227 NC1=C2C=CC=CC2=NC3=C1C=CC=C3 Z57039678 [0,0,0,0,0,0|0,0,4]=4 2 B17R3.35227 NC1=C2C=CC=CC2=NC3=C1CCCC3 Z56790573 [0,0,0,0,0,0|0,0,0]=0 3 B17R3.35227 NC1=C2C=CC=CC2=NC3=C1CCCO3 Z1509403801 [0,0,0,0,0,0|1,0,0]=1 4 B17R3.35227 NC1=C2C=CC=CC2=NC3=C1COCC3 Z1509394421 [0,0,0,0,0,0|1,0,0]=1 5 B17R3.35227 NC1=C2C=CC=CC2=NC3=C1OCCO3 Z3691532003 [0,0,0,0,0,0|2,0,0]=2 6 B17R3.35227 O=C1C2=C(C=CC=C2)N=C3N1CCCC3 Z1509566963 [0,0,0,0,0,0|2,0,0]=2 7 B17R3.35227 O=C1C2=C(C=CC=C2)N=C3N1CCOC3 Z3671248482 [0,0,0,0,0,0|3,0,0]=3 8 B18R3.5896 CC1=C2C=CC=CC2=NC3=C1CCCC3Cl Z89271869 [0,1,0,0,0,0|1,0,0]=2 9 B18R3.5896 CC1=C2N=C3CCCCC3=C(C2=CC=C1)Cl Z813021424 [0,1,0,0,0,0|1,0,0]=2 10 B18R3.5896 CC1=C2N=C3CCCCC3=C(C2=CC=C1)O Z3397118352 [0,1,0,0,0,0|1,0,0]=2 11 B18R3.5898 CC1=C2C=CC=CC2=NC3=C1C(=O)CCC3 Z48951351 [0,1,0,0,0,0|1,0,1]=3 12 B18R3.5898 CC1=C2C=CC=CC2=NC3=C1C(=O)NCC3 Z239548830 [0,1,0,0,0,0|2,0,1]=4 13 B18R3.5898 NC1=C2C(=CC=CC2=NC3=C1CCCC3)Cl Z2379802551 [0,1,0,0,0,0|0,0,0]=1 14 B18R3.52086 CC1=C2C=CC=CC2=NC3=C1CC(CC3)C Z48951270 [0,1,0,0,0,0|1,0,0]=2 15 B18R3.52086 NC1=CC2=C(C=C1)N=C3CCCCN3C2=O Z1509396964 [0,1,0,0,0,0|2,0,0]=3 16 B18R3.52086 O=C1C2=C(C=CC(=C2)F)NC3=C1CNCC3 Z3414041091 [0,1,0,0,0,0|2,0,1]=4 17 B18R3.99697 O=C1C2=C(C=C(C=C2)Cl)NC3=C1CCCC3 Z2182026255 [0,1,0,0,0,0|1,0,1]=3 18 B16R2.172 O=CC1=C(CCCC1)SC2=CC=CC=C2 Z57984661 [0,0,1,0,0,0|2,0,0]=3 19 B16R2.1054 CCNCC1=NC2=C(C=CC=C2)C(=O)N1 Z44508631 [0,0,1,0,0,0|3,0,0]=4 20 B16R2.2942 NCCCN1C=NC2=C(C1=O)C=CC=C2 Z354004976 [0,0,1,0,0,0|3,0,0]=4 21 B16R2.3896 O=C1CCCCN1C(=O)C2=CC=CC=C2 Z1509596500 [0,0,1,0,0,0|3,0,0]=4 22 B16R2.5844 CC1=NC2=C(C=CC=C2)C(=O)N1CCO Z275210028 [0,0,1,0,0,0|3,0,0]=4 23 B16R2.5844 CCCN1C(=O)C2=C(C=CC=C2)N=C1S Z203045498 [0,0,1,0,0,0|3,0,0]=4 24 B16R2.21738 CCSC1=NC2=C(C=CC=C2)C(=O)N1C Z24196705 [0,0,1,0,0,0|3,0,0]=4 25 B16R2.37486 CCN1C(=O)C2=C(C=CC=C2)N=C1SC Z21528169 [0,0,1,0,0,0|3,0,0]=4 26 B16R3.2754 CC1=C2C=CC=CC2=NC3=C1SCC3 Z90661736 [0,0,0,0,1,0|2,0,0]=3 27 B16R3.2754 NC1=C2C=CC=CC2=NC3=C1CCO3 Z1262640749 [0,0,0,0,1,0|1,0,0]=2 28 B16R3.2754 NC1=C2CCCCC2=NC3=C1CCC3 Z56766574 [0,0,0,0,1,0|0,0,3]=4 29 B16R3.2754 O=C1C2=C(C=CC=C2)N=C3N1CCC3 Z275210418 [0,0,0,0,1,0|2,0,0]=3 30 B16R3.2754 O=C1C2=C(C=CC=C2)N=C3N1CCO3 Z1255390974 [0,0,0,0,1,0|3,0,0]=4 31 B18R3.595918 N=C1C2=C(C=CC=C2)N=C3N1CCCCC3 Z56760473 [0,0,0,0,0,1|1,0,1]=3 32 B15R2.352 CCNCC1=CC2=C(C=CC=C2)C=C1 Z90513510 [1,0,1,0,0,0|2,0,0]=4 33 B15R2.352 CCNCC1=NC2=C(C=CC=C2)C=C1 Z1266854958 [1,0,1,0,0,0|1,0,0]=3 34 B15R2.352 NCCNC1=NC2=C(C=CC=C2)C=C1 Z802671684 [1,0,1,0,0,0|2,0,0]=4 35 B15R2.352 O=CCCC1=CC2=C(C=CC=C2)N=C1 Z1233208003 [1,0,1,0,0,0|1,0,1]=4 36 B15R2.352 OCCCC1=NC2=C(C=CC=C2)C=C1 Z1198265860 [1,0,1,0,0,0|1,0,0]=3 37 B15R2.352 OCCNC1=NC2=C(C=CC=C2)C=C1 Z31212267 [1,0,1,0,0,0|2,0,0]=4 38 B15R2.886 CCCC1=CC(=O)C2=C(N1)C=CC=C2 Z445211724 [1,0,1,0,0,0|1,0,1]=4 39 B15R2.886 CCCC1=NC2=C(C=CC=C2)C(=C1)Cl Z445213508 [1,0,1,0,0,0|1,0,0]=3 40 B15R2.886 CCCC1=NC2=C(C=CC=C2)C(=O)N1 Z666585722 [1,0,1,0,0,0|2,0,0]=4 41 B15R2.886 CNCC1=NC2=C(C=CC=C2)C(=N1)N Z195562120 [1,0,1,0,0,0|2,0,0]=4 42 B15R2.2220 CCCN1C=NC2=C(C1=O)C=CC=C2 Z152559780 [1,0,1,0,0,0|2,0,0]=4 43 B15R2.2226 O=C(C1=CC=CC=C1)C2=CNCCC2 Z235462066 [1,0,1,0,0,0|2,0,0]=4 44 B15R2.274 CCC1=C(C2=C(C=CC=C2)N=C1C)Cl Z728804020 [1,0,1,0,0,0|1,0,0]=3 45 B15R2.274 CCC1=C(NC2=C(C1=N)C=CC=C2)C Z1642061026 [1,0,1,0,0,0|0,0,2]=4 46 B15R2.274 CCC1=C(NC2=C(C1=O)C=CC=C2)C Z728804794 [1,0,1,0,0,0|1,0,1]=4 47 B15R2.274 CCN1C(=O)C2=C(C=CC=C2)N=C1C Z214617946 [1,0,1,0,0,0|2,0,0]=4 48 B15R2.888 CC1=C(C=C2C=CC=CC2=C1)CCN Z4336271310 [1,0,1,0,0,0|2,0,0]=4 49 B15R2.888 CCCC1=C(C=C2C=CC=CC2=C1)O Z1513823533 [1,0,1,0,0,0|2,0,0]=4 50 B15R2.888 CNCC1=C(N=C2C=CC=CC2=C1)O Z5615086919 [1,0,1,0,0,0|2,0,0]=4 51 B15R2.888 CSCC1=C(N=C2C=CC=CC2=N1)C Z599630346 [1,0,1,0,0,0|2,0,0]=4 52 B17R2.2357 CC1=CC=C(C=C1)SC2=C(CCCC2)C=O Z119989962 [0,1,1,0,0,0|2,0,0]=4 53 B17R2.12072 CC1=C2C=CC=CC2=NC(=C1)SCCCO Z20244038 [0,1,1,0,0,0|2,0,0]=4 54 B17R2.12072 CCCCCC1=CC(=O)C2=C(N1)C=CC=C2 Z1509149676 [0,1,1,0,0,0|1,0,1]=4 55 B17R2.40403 CC(C)SCC1=NC2=C(C=CC=C2)C(=N1)N Z1137689899 [0,1,1,0,0,0|2,0,0]=4 56 B17R2.6222 CCNC(=O)C1=C(C2=C(C=CC=C2)N=C1)N Z4784582503 [0,1,1,0,0,0|1,0,1]=4 57 B17R2.17960 CCCCN1C(=O)C2=C(C=CC=C2)N=C1S Z55663911 [0,1,1,0,0,0|2,0,0]=4 58 B17R2.26559 CCCN1C(=O)C2=C(C=CC=C2)N=C1SC Z19418833 [0,1,1,0,0,0|2,0,0]=4 59 B17R3.56503 O=C1C2=C(C=C(C=C2)Cl)N=C3N1CCC3 Z56943489 [0,1,0,0,1,0|2,0,0]=4 60 B17R3.202536 NC1=CC2=C(C=C1)N=C3CCCN3C2=O Z316121144 [0,1,0,0,1,0|2,0,0]=4 61 B17R3.202536 O=C1C2=C(C=CC(=C2)Cl)N=C3N1CCC3 Z56947578 [0,1,0,0,1,0|2,0,0]=4 62 B17R3.31713 CN1C2=C(C=C(C=C2)O)C3=C1CCCC3 Z1513809383 [0,1,0,0,1,0|2,0,0]=4 63 B19R3.87162 CC1=C(C2=C(C=C1)N=C3CCCCC3=C2Cl)F Z2375450698 [0,2,0,0,0,0|1,0,0]=3 64 B19R3.67900 CC1=C(C=C2N=C3CCCCC3=C(C2=C1)Cl)F Z1629549662 [0,2,0,0,0,0|1,0,0]=3 65 B19R3.306295 CCN1CCC2=C(C1)C(=C3C=CC=CC3=N2)C Z48951277 [0,2,0,0,0,0|2,0,0]=4 66 B19R3.306295 COC1=CC2=C(C=C1)N=C3CCCCC3=C2N Z960971048 [0,2,0,0,0,0|0,0,0]=2 67 B19R3.306295 COC1=CC2=C(C=C1)N=C3CCCCC3=C2O Z2327883757 [0,2,0,0,0,0|1,0,0]=3 68 B19R3.629728 NC(=O)C1=C2C=CC=CC2=NC3=C1CCCC3 Z56792409 [0,2,0,0,0,0|0,0,0]=2 69 B19R3.629728 O=C(O)C1=C2C=CC=CC2=NC3=C1CCCC3 Z56820409 [0,2,0,0,0,0|1,0,0]=3 70 B17R3.57474 O=C1NC(=NC2=C1C=CC=C2)C3CCC3 Z2900816350 [0,0,1,1,0,0|2,0,0]=4 71 B17R3.57475 O=C1NC(=NC2=C1C=CC=C2)CC3CC3 Z1537047698 [0,0,1,1,0,0|2,0,0]=4 72 B15R2.21 O=CC1=C(CCCC1)C2=CC=CC=C2 Z1511747041 [0,0,1,0,1,0|1,0,0]=3 73 B15R3.3 C1=CC2=C(C=C1)C3=C(N2)CCNC3 Z203053856 [1,0,0,0,1,0|1,0,1]=4 74 B15R3.3 C1=CC2=C(C=C1)C3=C(N2)CNCC3 Z1526503389 [1,0,0,0,1,0|1,0,1]=4 75 B15R3.3 C1=CC2=C(C=C1)N3CCCNC3=N2 Z1198155825 [1,0,0,0,1,0|2,0,0]=4 76 B15R3.3 C1=CC2=C(C=C1)N3CCNCC3=C2 Z2188172213 [1,0,0,0,1,0|2,0,0]=4 77 B15R3.3 C1=CC2=C(N=C1)NC3=C2CCCC3 Z1198153889 [1,0,0,0,1,0|1,0,1]=4 78 B15R3.4266 C1=CC2=C(C=C1)N=C3CCCN3C2 Z2295423882 [1,0,0,0,1,0|1,0,1]=4 79 B17R3.4685 O=C1NC2=C(C=CC=C2)N=C3C1CCC3 Z1509149511 [0,0,0,0,1,1|1,0,1]=4