0 B16R2.23521 O=C(O)C1=CC2=CC(Cl)=CC=C2N=C1O MC106575 [0,0,0,0,0,0|1,0,0]=1 1 B15R2.984 CC(=O)C1=CC2=CN=CC=C2N=C1C MC425220 [1,0,0,0,0,0|2,0,0]=3 2 B15R2.984 CC1=CC2=CC=CC=C2C=C1C(=O)O MC431948 [1,0,0,0,0,0|1,0,0]=2 3 B15R2.984 CC1=NC2=CC=CC=C2N=C1C(=O)[O-] MC100893 [1,0,0,0,0,0|1,0,1]=3 4 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O CS16286 [1,0,0,0,0,0|2,0,0]=3 5 B15R2.984 O=C(O)C1=NC2=CC=CC=C2C=C1Cl MC110562 [1,0,0,0,0,0|3,0,0]=4 6 B15R2.984 O=C(O)C1=NC2=CC=CC=C2N=C1Cl CS14790 [1,0,0,0,0,0|2,0,0]=3 7 B15R2.984 OB(O)C1=CC2=CC=CC=C2N=C1Cl MC21130 [1,0,0,0,0,0|2,0,1]=4 8 B15R2.984 OB(O)C1=CC2=CC=CC=C2N=C1O MC114851 [1,0,0,0,0,0|2,0,1]=4 9 B15R2.7174 NC1=CC=C2C=CC(C(=O)O)=NC2=C1 MC106308 [1,0,0,0,0,0|3,0,0]=4 10 B15R2.7174 O=C(O)C1=CC2=CC(Br)=CC=C2C=C1 MC111503 [1,0,0,0,0,0|1,1,0]=3 11 B15R2.7174 O=C(O)C1=CC2=CC(Br)=CC=C2C=N1 CS17427 [1,0,0,0,0,0|2,1,0]=4 12 B15R2.7174 O=C(O)C1=CC2=CC(Cl)=CC=C2N=C1 CS12395 [1,0,0,0,0,0|0,0,0]=1 13 B15R2.7174 O=C(O)C1=CC2=CC(O)=CC=C2C=C1 MC441104 [1,0,0,0,0,0|2,0,0]=3 14 B15R2.7174 O=C(O)C1=CC=C2C=CC(O)=NC2=C1 MC102751 [1,0,0,0,0,0|3,0,0]=4 15 B15R2.7174 O=C(O)C1=CC=C2C=NC(F)=CC2=C1 MC432290 [1,0,0,0,0,0|2,1,0]=4 16 B15R2.7174 O=C(O)C1=NC2=CC(Br)=CC=C2C=C1 CS15617 [1,0,0,0,0,0|2,1,0]=4 17 B17R2.64948 COC1=CC=C2N=C(O)C(C(=O)O)=CC2=C1 MC106627 [0,1,0,0,0,0|2,0,0]=3 18 B17R2.912270 O=C(O)C1=CC2=CC(Br)=CC=C2C(Br)=C1O CS11534 [0,1,0,0,0,0|2,1,0]=4 19 B15R2.7204 CC1=C(C(=O)O)N2C=C(Br)C=CC2=N1 MC432538 [0,0,0,0,1,0|1,1,0]=3 20 B15R2.7204 CC1=C(C(=O)O)N2N=C(Cl)C=CC2=N1 CS11480 [0,0,0,0,1,0|2,0,0]=3 21 B15R2.7204 CC1=CN2C(=NC(C)=C2C(=O)O)N=C1 MC102733 [0,0,0,0,1,0|3,0,0]=4 22 B15R2.14758 CC1=CC2=C(C=C1)C(Cl)=C(C(=O)O)S2 MC41768 [0,0,0,0,1,0|3,0,0]=4 23 B15R2.14758 O=C(O)C1=C(Cl)C2=C(C=C(F)C=C2)S1 MC429938 [0,0,0,0,1,0|2,1,0]=4 24 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 MC41741 [2,0,0,0,0,0|2,0,0]=4 25 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 CS16292 [2,0,0,0,0,0|1,0,0]=3 26 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CS11274 [2,0,0,0,0,0|2,0,0]=4 27 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CS11279 [2,0,0,0,0,0|2,0,0]=4 28 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 CS10060 [2,0,0,0,0,0|0,0,0]=2 29 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 CS10714 [2,0,0,0,0,0|2,0,0]=4 30 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 CS11276 [2,0,0,0,0,0|2,0,0]=4 31 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 CS21462 [2,0,0,0,0,0|1,0,0]=3 32 B14R2.781 OB(O)C1=CC2=CC=CC=C2N=C1 CS21553 [2,0,0,0,0,0|1,0,1]=4 33 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O MC425440 [2,0,0,0,0,0|2,0,0]=4 34 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1Cl CS11246 [2,0,0,0,0,0|1,0,0]=3 35 B14R2.8239 OC1=NC2=CC=C(Cl)C=C2N=C1O CS10664 [2,0,0,0,0,0|2,0,0]=4 36 B16R2.1612 COC1=NC2=CC=CC=C2C=C1B(O)O MC425784 [1,1,0,0,0,0|1,0,1]=4 37 B16R2.192946 O=CC1=CC2=CC(Cl)=C(Cl)C=C2N=C1Cl MC114598 [1,1,0,0,0,0|1,0,0]=3 38 B16R2.1205 COC(=O)C1=CC2=CC(Br)=CC=C2C=C1 MC111504 [1,1,0,0,0,0|1,1,0]=4 39 B16R2.1205 COC(=O)C1=CC2=CC(O)=CC=C2C=C1 MC443170 [1,1,0,0,0,0|2,0,0]=4 40 B16R2.3885 O=C(O)C1=CC2=CC(Br)=C(Br)C=C2C=C1 MC115306 [1,1,0,0,0,0|1,1,0]=4 41 B16R2.7476 COC1=CC=C2C=CC(C(=O)O)=CC2=C1 MC443443 [1,1,0,0,0,0|2,0,0]=4 42 B16R2.12044 CC1=C(C(=O)O)C=NC2=CC=C(Br)C=C21 MC442533 [1,1,0,0,0,0|0,1,0]=3 43 B16R2.12044 NC1=C(C(=O)O)N=NC2=C1C=C(F)C=C2 MC41750 [1,1,0,0,0,0|1,1,0]=4 44 B16R2.12044 O=C(O)C1=C(Cl)C2=CC(Br)=CC=C2N=C1 MC114188 [1,1,0,0,0,0|0,1,0]=3 45 B16R2.12044 O=C(O)C1=C(O)C2=CC(F)=CC=C2N=C1 CS11255 [1,1,0,0,0,0|0,1,0]=3 46 B16R2.12044 O=C(O)C1=CN=C2C=CC(Br)=CN2C1=O MC104246 [1,1,0,0,0,0|1,1,0]=4 47 B16R2.133406 O=C(O)C1=CC(=O)C2=CC=C(Cl)C=C2O1 CS12981 [1,1,0,0,0,0|2,0,0]=4 48 B16R2.10979 COC1=C(C(=O)O)SC2=C1C=CC(Cl)=C2 MC105827 [0,1,0,0,1,0|1,0,0]=3 49 B18R2.81880 CCOC(=O)C1=CC2=CC(Cl)=CC=C2NC1=O MC106722 [0,2,0,0,0,0|1,0,1]=4 50 B16R2.12021 CC1=C(CC(=O)O)C2=CC(Cl)=CC=C2N1 MC429947 [0,0,1,1,0,0|0,0,2]=4 51 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 MC41799 [1,0,0,0,1,0|1,0,0]=3 52 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 CS11350 [1,0,0,0,1,0|1,0,0]=3 53 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 MC433155 [1,0,0,0,1,0|2,0,0]=4 54 B14R2.642 CC(=O)N1C(C)=NC2=C1C=CC=C2 MC33418 [1,0,0,0,1,0|2,0,0]=4 55 B14R2.642 CC1=C(C(=O)O)C2=CC=CN=C2N1 MC104103 [1,0,0,0,1,0|1,0,1]=4 56 B14R2.19008 CN1N=C2C=CC(Br)=CC2=C1C=O MC113234 [1,0,0,0,1,0|1,1,0]=4 57 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 MC441314 [1,0,0,0,1,0|2,0,0]=4 58 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 MC41800 [1,0,0,0,1,0|2,0,0]=4 59 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 MC441312 [1,0,0,0,1,0|2,0,0]=4 60 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 CS10730 [1,0,0,0,1,0|2,0,0]=4 61 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 CS10456 [1,0,0,0,1,0|1,0,1]=4 62 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 MC114702 [1,0,0,0,1,0|1,1,0]=4 63 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 MC441038 [1,0,0,0,1,0|1,1,0]=4 64 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)O1 MC441313 [1,0,0,0,1,0|1,0,0]=3 65 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 MC443455 [1,0,0,0,1,0|1,0,0]=3 66 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)N=C2)N1 CS12323 [1,0,0,0,1,0|2,0,0]=4 67 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 MC114912 [1,0,0,0,1,0|1,1,0]=4 68 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 MC441164 [1,0,0,0,1,0|1,1,0]=4 69 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 MC41760 [1,0,0,0,1,0|1,1,0]=4 70 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 MC441171 [1,0,0,0,1,0|1,0,0]=3 71 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)S1 MC441141 [1,0,0,0,1,0|1,0,0]=3 72 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)O1 MC441172 [1,0,0,0,1,0|1,1,0]=4 73 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)S1 MC41787 [1,0,0,0,1,0|1,1,0]=4 74 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 CS22050 [1,0,0,0,1,0|0,0,1]=3 75 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 MC20054 [1,0,0,0,1,0|0,1,1]=4 76 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 CS22090 [1,0,0,0,1,0|1,1,0]=4 77 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 MC20052 [1,0,0,0,1,0|1,0,0]=3 78 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2N1 MC121106 [1,0,0,0,1,0|2,0,0]=4 79 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 MC20055 [1,0,0,0,1,0|1,1,0]=4 80 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 MC102042 [1,0,0,0,1,0|2,0,0]=4 81 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=N1 CS10665 [1,0,0,0,1,0|1,1,0]=4 82 B14R2.4529 O=C(O)C1=CN2C=C(Cl)C=CC2=N1 MC425403 [1,0,0,0,1,0|1,0,0]=3 83 B14R2.4529 O=C(O)C1=NC2=C(C=C(Br)C=C2)S1 MC104507 [1,0,0,0,1,0|1,1,0]=4 84 B14R2.4529 O=C(O)C1=NC2=C(C=C(Cl)C=C2)S1 CS15439 [1,0,0,0,1,0|1,0,0]=3 85 B14R2.4529 O=C(O)C1=NN2C=C(Cl)C=CC2=C1 MC20746 [1,0,0,0,1,0|2,0,0]=4 86 B14R2.4529 O=C(O)C1=NN2C=CC(Br)=CC2=C1 MC102046 [1,0,0,0,1,0|1,1,0]=4 87 B14R2.5816 CC(=O)C1=CNC2=CC=C(Cl)C=C21 CS20431 [1,0,0,0,1,0|1,0,1]=4 88 B14R2.5816 CC1=CC=C2NC=C(C(=O)O)C2=C1 CS17798 [1,0,0,0,1,0|1,0,1]=4 89 B14R2.5816 O=C(O)C1=C2C=C(Br)C=CN2N=C1 MC104497 [1,0,0,0,1,0|1,1,0]=4 90 B14R2.5816 O=C(O)C1=CN=C2C=CC(Br)=CN12 MC427705 [1,0,0,0,1,0|1,1,0]=4 91 B14R2.5816 O=C(O)C1=CN=C2C=CC(Cl)=CN12 CS17756 [1,0,0,0,1,0|1,0,0]=3 92 B14R2.5816 O=C(O)C1=CN=C2C=CC(Cl)=NN12 CS15956 [1,0,0,0,1,0|2,0,0]=4 93 B14R2.5816 O=C(O)C1=CNC2=CC=C(Br)C=C21 CS17804 [1,0,0,0,1,0|0,1,1]=4 94 B14R2.5816 O=C(O)C1=CNC2=CC=C(F)C=C21 MC20433 [1,0,0,0,1,0|0,1,1]=4 95 B14R2.5816 O=C(O)C1=CNC2=CN=C(Cl)C=C21 MC107266 [1,0,0,0,1,0|1,0,1]=4 96 B14R2.5816 O=C(O)C1=CNC2=NC=C(Cl)C=C12 CS14322 [1,0,0,0,1,0|1,0,1]=4 97 B14R2.5816 O=C(O)C1=COC2=C1C=C(Br)C=C2 MC115317 [1,0,0,0,1,0|1,1,0]=4 98 B14R2.5816 O=C(O)C1=CSC2=C1C=C(O)C=C2 MC115821 [1,0,0,0,1,0|2,0,0]=4 99 B14R2.24358 CC1=CNC2=NC=C(C(=O)O)C=C12 MC104439 [1,0,0,0,1,0|2,0,0]=4 100 B16R2.133456 O=C(O)C1=C(O)C2=CC=C(Br)C=C2N=C1 CS19343 [0,0,0,0,1,1|1,1,0]=4 101 B16R2.133456 O=C(O)C1=CNC2=CC(Br)=CC=C2C1=O CS13009 [0,0,0,0,1,1|1,1,0]=4