0 B15R2.2 CCC1=CC=C(C=C1)C2=CSC(=N2)N Z48847651 [0,0,0,0,0,0|4,0,0]=4 1 B15R2.2 CCC1=CC=C(C=C1)C2=NOC(=C2)N Z335438954 [0,0,0,0,0,0|3,1,0]=4 2 B15R2.2 COC1=CC=C(C=C1)C2=CC(=O)OC2 Z2181914481 [0,0,0,0,0,0|1,2,0]=3 3 B15R2.2 COC1=CC=C(C=C1)C2=CSC(=N2)C Z48850567 [0,0,0,0,0,0|3,0,0]=3 4 B15R2.2 COC1=CC=C(C=C1)C2=CSC(=N2)N Z48847512 [0,0,0,0,0,0|3,0,0]=3 5 B15R2.2 COC1=CC=C(C=C1)C2=CSC(=O)S2 Z173808386 [0,0,0,0,0,0|2,1,0]=3 6 B15R2.2 COC1=CC=C(C=C1)C2=NC(=NO2)N Z1147462972 [0,0,0,0,0,0|3,1,0]=4 7 B15R2.2 COC1=CC=C(C=C1)C2=NN=C(N2)N Z104378258 [0,0,0,0,0,0|4,0,0]=4 8 B15R2.2 COC1=CC=C(C=C1)C2=NN=C(O2)N Z235538124 [0,0,0,0,0,0|4,0,0]=4 9 B15R2.2 COC1=CC=C(C=C1)C2=NN=C(O2)S Z55879393 [0,0,0,0,0,0|3,0,1]=4 10 B15R2.2 COC1=CC=C(C=C1)C2=NN=C(S2)N Z57148445 [0,0,0,0,0,0|4,0,0]=4 11 B15R2.2 COC1=CC=C(C=C1)C2=NNC(=C2)N Z317042244 [0,0,0,0,0,0|3,0,0]=3 12 B15R2.2 COC1=CC=C(C=C1)C2=NNC(=O)C2 Z3475787792 [0,0,0,0,0,0|2,1,1]=4 13 B15R2.2 COC1=CC=C(C=C1)C2=NOC(=C2)N Z335439016 [0,0,0,0,0,0|2,1,0]=3 14 B15R2.2 COC1=CC=C(C=C1)C2=NOC(=O)N2 Z685594076 [0,0,0,0,0,0|2,2,0]=4 15 B15R2.2 COC1=CC=C(C=C1)C2=NSC(=N2)N Z431702386 [0,0,0,0,0,0|3,0,0]=3 16 B15R2.2 COC1=CC=C(C=C1)N2C=C(C=N2)O Z2311314263 [0,0,0,0,0,0|3,1,0]=4 17 B15R2.2 CSC1=CC=C(C=C1)C2=CSC(=N2)N Z48847493 [0,0,0,0,0,0|3,1,0]=4 18 B15R2.2 CSC1=CC=C(C=C1)C2=NC(=N)SN2 Z1270207949 [0,0,0,0,0,0|3,1,0]=4 19 B14R2.1 CNC1=CC=C(C=C1)C2=NC=CS2 Z1082870870 [1,0,0,0,0,0|3,0,0]=4 20 B14R2.1 COC1=CC=C(C=C1)C2=CCNC2 Z1262616902 [1,0,0,0,0,0|2,0,1]=4 21 B14R2.1 COC1=CC=C(C=C1)C2=CNN=C2 Z1198162998 [1,0,0,0,0,0|3,0,0]=4 22 B14R2.1 COC1=CC=C(C=C1)C2=CSN=N2 Z57234450 [1,0,0,0,0,0|3,0,0]=4 23 B14R2.1 COC1=CC=C(C=C1)C2=NC=CN2 Z2472856666 [1,0,0,0,0,0|3,0,0]=4 24 B14R2.1 COC1=CC=C(C=C1)C2=NN=CO2 Z54343915 [1,0,0,0,0,0|3,0,0]=4 25 B14R2.1 COC1=CC=C(C=C1)C2=NNC=C2 Z815437682 [1,0,0,0,0,0|2,0,0]=3 26 B14R2.1 COC1=CC=C(C=C1)N2C=CC=N2 Z1096154108 [1,0,0,0,0,0|3,0,0]=4 27 B14R2.1 NCC1=CC=C(C=C1)C2=CC=CS2 Z756110816 [1,0,0,0,0,0|3,0,0]=4 28 B14R2.1 O=CC1=CC=C(C=C1)C2=CC=CS2 Z756110738 [1,0,0,0,0,0|3,0,0]=4 29 B14R2.1 O=CC1=CC=C(C=C1)C2=CSC=C2 Z1201622737 [1,0,0,0,0,0|3,0,0]=4 30 B14R2.1 OCC1=CC=C(C=C1)C2=CSC=C2 Z1201623386 [1,0,0,0,0,0|3,0,0]=4 31 B14R2.20 CC1=CC=C(C=C1)C2=CC(=NO2)O Z1862002575 [1,0,0,0,0,0|1,2,0]=4 32 B14R2.20 CC1=CC=C(C=C1)C2=CSC(=N2)C Z48850615 [1,0,0,0,0,0|3,0,0]=4 33 B14R2.20 CC1=CC=C(C=C1)C2=CSC(=N2)Cl Z1037582804 [1,0,0,0,0,0|3,0,0]=4 34 B14R2.20 CC1=CC=C(C=C1)C2=CSC(=N2)N Z48847560 [1,0,0,0,0,0|3,0,0]=4 35 B14R2.20 CC1=CC=C(C=C1)C2=CSC(=N2)S Z56347422 [1,0,0,0,0,0|2,0,1]=4 36 B14R2.20 CC1=CC=C(C=C1)C2=CSC(=O)N2 Z409413362 [1,0,0,0,0,0|2,1,0]=4 37 B14R2.20 CC1=CC=C(C=C1)C2=CSC(=O)S2 Z212050922 [1,0,0,0,0,0|2,1,0]=4 38 B14R2.20 CC1=CC=C(C=C1)C2=CSC(=S)S2 Z212050924 [1,0,0,0,0,0|2,0,0]=3 39 B14R2.20 CC1=CC=C(C=C1)C2=NNC(=C2)N Z56921093 [1,0,0,0,0,0|3,0,0]=4 40 B14R2.20 CC1=CC=C(C=C1)C2=NOC(=C2)N Z57990855 [1,0,0,0,0,0|2,1,0]=4 41 B14R2.20 CC1=CC=C(C=C1)C2=NSC(=O)N2 Z1509158742 [1,0,0,0,0,0|2,1,0]=4 42 B14R2.20 CC1=CSC(=N1)C2=CC=C(C=C2)O Z199512996 [1,0,0,0,0,0|3,0,0]=4 43 B14R2.20 CC1=NC(=CS1)C2=CC=C(C=C2)O Z227973234 [1,0,0,0,0,0|3,0,0]=4 44 B14R2.20 NC1=NC(=CS1)C2=CC=C(C=C2)O Z227972914 [1,0,0,0,0,0|3,0,0]=4 45 B14R2.20 NC1=NC(=NS1)C2=CC=C(C=C2)O Z3951659558 [1,0,0,0,0,0|3,0,0]=4 46 B14R2.20 NC1=NNC(=C1)C2=CC=C(C=C2)O Z1575304439 [1,0,0,0,0,0|3,0,0]=4 47 B14R2.20 OC1=CC=C(C=C1)C2=CC(=CS2)F Z4662119441 [1,0,0,0,0,0|2,0,0]=3 48 B16R2.8 CCOC1=CC=C(C=C1)C2=CSC(=N2)N Z48847484 [0,1,0,0,0,0|3,0,0]=4 49 B16R2.8 CCOC1=CC=C(C=C1)C2=CSC(=O)N2 Z409413366 [0,1,0,0,0,0|2,1,0]=4 50 B16R2.48 CNC1=NC(=CS1)C2=CC=C(C=C2)OC Z48860907 [0,1,0,0,0,0|3,0,0]=4 51 B16R2.48 CNC1=NNC(=C1)C2=CC=C(C=C2)OC Z1266933950 [0,1,0,0,0,0|3,0,0]=4 52 B16R2.48 COC1=CC=C(C=C1)C2=CSC(=C2)CN Z1222330074 [0,1,0,0,0,0|2,0,0]=3 53 B16R2.48 COC1=CC=C(C=C1)C2=NC(=CS2)C=O Z147716446 [0,1,0,0,0,0|2,1,0]=4 54 B16R2.48 COC1=CC=C(C=C1)C2=NC(=CS2)CCl Z85956650 [0,1,0,0,0,0|3,0,0]=4 55 B16R2.48 COC1=CC=C(C=C1)C2=NC(=CS2)CN Z105197314 [0,1,0,0,0,0|3,0,0]=4 56 B16R2.48 COC1=CC=C(C=C1)C2=NOC(=C2)CBr Z169917676 [0,1,0,0,0,0|2,1,0]=4 57 B16R2.50 COC1=CC=C(C=C1)C2=C(SC(=N2)C)C Z56808562 [0,1,0,0,0,0|3,0,0]=4 58 B16R2.50 COC1=CC=C(C=C1)C2=C(SC(=N2)N)C Z48847498 [0,1,0,0,0,0|3,0,0]=4 59 B16R2.2055 COC1=CC(=C(C=C1)C2=CSC(=N2)N)O Z56797089 [0,1,0,0,0,0|3,0,0]=4 60 B16R2.2280 COC1=C(C=C(C=C1)C2=CSC(=N2)C)Br Z48850677 [0,1,0,0,0,0|3,0,0]=4 61 B16R2.2280 COC1=C(C=C(C=C1)C2=CSC(=N2)C)Cl Z57904595 [0,1,0,0,0,0|3,0,0]=4 62 B16R2.2280 COC1=C(C=C(C=C1)C2=CSC(=N2)C)F Z57394217 [0,1,0,0,0,0|3,0,0]=4 63 B16R2.2280 COC1=C(C=C(C=C1)C2=CSC(=N2)N)Br Z48847622 [0,1,0,0,0,0|3,0,0]=4 64 B16R2.2280 COC1=C(C=C(C=C1)C2=CSC(=N2)N)C Z85926916 [0,1,0,0,0,0|3,0,0]=4 65 B16R2.2280 COC1=C(C=C(C=C1)C2=CSC(=N2)N)Cl Z89239701 [0,1,0,0,0,0|3,0,0]=4 66 B16R2.2280 COC1=C(C=C(C=C1)C2=CSC(=N2)N)F Z73485884 [0,1,0,0,0,0|3,0,0]=4 67 B16R2.2280 COC1=C(C=C(C=C1)C2=NNC(=C2)N)C Z1509502791 [0,1,0,0,0,0|3,0,0]=4 68 B14R1.2 COC1=CC=C(C=C1)/C(=C/C(=O)O)/C Z352747052 [0,0,1,0,0,0|1,2,0]=4 69 B14R1.4 COC1=CC=C(C=C1)/C=N/NC(=S)N Z49561621 [0,0,1,0,0,0|3,0,0]=4 70 B14R1.5 COC1=CC=C(C=C1)/C=N/C(=S)NN Z56756991 [0,0,1,0,0,0|3,0,0]=4 71 B16R2.1 COC1=CC=C(C=C1)C2=NC=NC(=C2)Cl Z1267671635 [0,0,0,0,0,1|3,0,0]=4 72 B16R2.1 COC1=CC=C(C=C1)C2=NC=NC(=C2)N Z856211074 [0,0,0,0,0,1|3,0,0]=4 73 B16R2.13 COC1=CC=C(C=C1)C2=NNC(=O)C=C2 Z432063110 [0,0,0,0,0,1|2,1,0]=4 74 B16R2.40 COC1=CC=C(C=C1)CC2=CSC(=N2)N Z4775674618 [0,0,0,0,0,1|3,0,0]=4 75 B16R2.40 COC1=CC=C(C=C1)NC2=NC(=O)CS2 Z56828407 [0,0,0,0,0,1|2,1,0]=4 76 B16R2.40 COC1=CC=C(C=C1)SC2=NC(=N)SN2 Z1324054901 [0,0,0,0,0,1|3,0,0]=4 77 B13R1.3 COC1=CC=C(C=C1)/C=C/C(=O)O Z56931888 [1,0,1,0,0,0|0,2,0]=4 78 B13R1.452 COC1=CC=C(C=C1)C(=O)/C=C/[O-] Z2259173493 [1,0,1,0,0,0|0,2,0]=4 79 B13R2.12 CC1=CC=C(C=C1)C2=NC=CS2 Z381429032 [2,0,0,0,0,0|2,0,0]=4 80 B13R2.12 OC1=CC=C(C=C1)C2=CSC=N2 Z1147474009 [2,0,0,0,0,0|2,0,0]=4 81 B13R2.12 OC1=CC=C(C=C1)C2=NC=CS2 Z808598598 [2,0,0,0,0,0|2,0,0]=4 82 B13R2.12 OC1=CC=C(C=C1)C2=NNC=C2 Z1737940715 [2,0,0,0,0,0|2,0,0]=4 83 B15R2.7 CNCC1=CC=C(C=C1)C2=CSC=C2 Z3178891123 [1,1,0,0,0,0|2,0,0]=4 84 B15R2.60 CC(=O)C1=CC=C(C=C1)C2=CC=CS2 Z234809820 [1,1,0,0,0,0|2,0,0]=4 85 B15R2.2111 COC1=CC(=C(C=C1)C2=CC=NN2)O Z1255363838 [1,1,0,0,0,0|2,0,0]=4 86 B15R2.89396 COC1=CC2=C(C=C1)C(=CC(=N2)S)C Z56764329 [0,0,1,1,0,0|2,0,0]=4 87 B13R1.5 COC1=CC=C(C=C1)NC(=S)SC Z56757835 [0,0,1,0,1,0|2,0,0]=4