0 B16R2.1054 CCNCC1=NC2=C(C=CC=C2)C(=O)N1 Z44508631 [0,0,0,0,0,0|3,0,1]=4 1 B15R2.352 CCNCC1=CC2=C(C=CC=C2)C=C1 Z90513510 [1,0,0,0,0,0|2,0,1]=4 2 B15R2.886 CCCC1=CC(=O)C2=C(N1)C=CC=C2 Z445211724 [1,0,0,0,0,0|2,0,1]=4 3 B15R2.886 CCCC1=NC2=C(C=CC=C2)C(=O)N1 Z666585722 [1,0,0,0,0,0|2,0,1]=4 4 B17R2.49938 CCNC(=O)C1=NC2=C(C=CC=C2)C(=O)N1 Z332370036 [0,1,0,0,0,0|3,0,0]=4 5 B17R2.49938 CCNC(=O)C1CC2=C(C=CC=C2)C(=O)O1 Z51983935 [0,1,0,0,0,0|1,0,2]=4 6 B17R2.49938 CCOC(=O)C1=CC2=C(C=CC=C2)C(=O)N1 Z228585074 [0,1,0,0,0,0|2,0,0]=3 7 B17R2.49938 CCOC(=O)C1=NC(=C2C=CC=CC2=C1)Cl Z418087878 [0,1,0,0,0,0|3,0,0]=4 8 B17R2.49938 CCOC(=O)C1=NC2=C(C=CC=C2)C(=O)N1 Z56821553 [0,1,0,0,0,0|3,0,0]=4 9 B17R3.54615 O=C1NC2=C(C=CC=C2)C3=C1C=CC=C3 Z275368072 [0,0,0,1,0,0|1,0,2]=4 10 B14R2.112 CCNC1=CC2=C(C=CC=C2)C=C1 Z286374752 [2,0,0,0,0,0|2,0,0]=4 11 B14R2.112 CCOC1=CC2=C(C=CC=C2)C=C1 Z53835291 [2,0,0,0,0,0|2,0,0]=4 12 B14R2.1019 C=CC1=NC2=C(C=CC=C2)C(=O)N1 Z362599870 [2,0,0,0,0,0|2,0,0]=4 13 B14R2.1019 CCC1=CC(=O)C2=C(N1)C=CC=C2 Z445211736 [2,0,0,0,0,0|2,0,0]=4 14 B16R2.33887 COC(=O)C1=CC2=C(C=CC=C2)C(=O)N1 Z66803344 [1,1,0,0,0,0|2,0,0]=4 15 B16R2.33887 COC(=O)C1=CC2=C(C=CC=C2)C(=O)O1 Z1966964149 [1,1,0,0,0,0|1,0,0]=3 16 B18R2.123715 CCCNC(=O)C1=CC2=C(C=CC=C2)C(=O)N1 Z79595019 [0,2,0,0,0,0|1,0,1]=4 17 B16R2.88 O=C(OC1=CC=CC=C1)C2=CC=CC=C2 Z28228413 [0,0,1,1,0,0|0,0,2]=4 18 B16R2.87 O=C(O)C1=C(C=CC=C1)C2=CC=CC=C2 Z104484440 [0,0,1,1,0,0|0,0,2]=4 19 B16R2.36827 COC1=C2C=NC=C(C2=CC=C1)C(=O)O Z1813127917 [0,0,1,1,0,0|2,0,0]=4 20 B16R3.20606 O=C1C2=C(C=CC=C2)C3=C1C=CC=C3 Z56926556 [0,0,0,1,1,0|0,0,2]=4 21 B18R3.54014 O=C1OC2=C(C=CC(=C2)O)C3=C1C=CC=C3 Z57108866 [0,1,0,1,0,0|0,0,2]=4 22 B14R2.67 CCCCC1=CC2=C(O1)C=CC=C2 Z104477760 [1,0,0,0,1,0|0,0,2]=4 23 B14R2.67 CCNCC1=CC2=C(O1)C=CC=C2 Z1695709454 [1,0,0,0,1,0|1,0,1]=4 24 B13R2.328 CC1=CC2=C(C=CC=N2)C(=O)O1 Z3247541294 [3,0,0,0,0,0|1,0,0]=4 25 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 Z96091926 [3,0,0,0,0,0|1,0,0]=4 26 B13R2.328 O=C1OC(=CC2=C1C=CC=C2)Cl Z1198723772 [3,0,0,0,0,0|1,0,0]=4 27 B15R2.14951 CC(=O)C1=CC2=C(C=CC=C2)C(=O)O1 Z2526869754 [2,1,0,0,0,0|0,0,0]=3 28 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)O1 Z1198163323 [2,1,0,0,0,0|1,0,0]=4 29 B17R2.138581 CCO/C=C\1/C(=O)OC(=O)C2=C1C=CC=C2 Z56886445 [0,1,0,0,1,1|1,0,0]=4 30 B17R2.50152 CCOC(=O)C1=C(C2=C(C1=O)C=CC=C2)[O-] Z2736230187 [0,2,0,0,1,0|1,0,0]=4 31 B15R2.20805 COC1=C2C=CC=C(C2=CC=C1)C=O Z1255389590 [1,0,1,1,0,0|1,0,0]=4 32 B15R2.13611 CC1=C2C=CC=C(C2=CC=C1)C(=O)O Z1255382591 [1,0,1,1,0,0|0,0,0]=3 33 B15R2.13611 CC1=C2C=CC=C(C2=NC=C1)C(=O)O Z1198223611 [1,0,1,1,0,0|1,0,0]=4 34 B15R2.13611 O=C(O)C1=C2C=CC=C(C2=CC=C1)Br Z57772242 [1,0,1,1,0,0|1,0,0]=4 35 B15R2.20917 CCC1=C2NC=C(C2=CC=C1)C(=O)O Z323040534 [0,0,1,1,1,0|1,0,0]=4 36 B15R3.14759 O=C1OC2=C3C1=CC=CC3=CC=C2 Z1198152020 [1,0,0,1,1,0|0,0,1]=4 37 B17R2.63358 COC(=O)C1=C2C=CC=C(C2=CC=C1)CN Z5115845973 [0,1,1,1,0,0|1,0,0]=4 38 B17R2.3363 CC1=CC(=CC=C1)C2=C(C=CC=C2)C(=O)O Z283821666 [0,1,1,1,0,0|0,0,1]=4 39 B17R2.3445 CC1=C(C=CC=C1)C2=C(C=CC=C2)C(=O)O Z732681150 [0,1,1,1,0,0|0,0,1]=4 40 B17R3.66182 CC(=O)C1=C2C=CC=C3C2=C(CC3)C=C1 Z147838748 [0,0,1,2,0,0|1,0,0]=4 41 B17R3.66182 NC(=O)C1=C2C=CC=C3C2=C(CC3)C=C1 Z57475195 [0,0,1,2,0,0|1,0,0]=4 42 B17R3.66182 O=C(O)C1=C2C=CC=C3C2=C(CC3)C=C1 Z169511478 [0,0,1,2,0,0|0,0,0]=3 43 B17R3.1917 C1=CC2=C(C=C1)C=C(C=C2)C3=CCNC3 Z1262616970 [1,1,0,1,0,0|1,0,0]=4