0 B21R3.157575 NC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3 PH006464 [0,0,0,0,0,0|1,0,1]=2 1 B21R3.157575 O=C1COC(C2=CC(=CC=C2N1)Cl)C3=CC=CC=C3 PH005551 [0,0,0,0,0,0|1,0,1]=2 2 B21R3.157575 O=C1CSC(C2=CC(=CC=C2N1)Cl)C3=CC=CC=C3 PH006796 [0,0,0,0,0,0|1,0,1]=2 3 B21R3.157575 S=C1CN=C(C2=C(N1)C=CC(=C2)Br)C3=CC=CC=C3 PH004483 [0,0,0,0,0,0|0,2,0]=2 4 B21R3.157575 S=C1CN=C(C2=C(N1)C=CC(=C2)Br)C3=CC=CC=N3 PH004380 [0,0,0,0,0,0|1,2,0]=3 5 B21R3.157575 S=C1CN=C(C2=CC(=CC=C2N1)Cl)C3=CC=CC=C3 PH009739 [0,0,0,0,0,0|0,1,0]=1 6 B20R3.5687 O=C1CN=C(C2=CC=CC=C2N1)C3=CC=CC=C3 PH011291 [1,0,0,0,0,0|0,0,0]=1 7 B22R3.5616688 S=C1CN=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3Cl PH004334 [0,1,0,0,0,0|0,1,0]=2 8 B22R3.10622968 CC1N=C(C2=C(C=CC(=C2)Cl)NC1=O)C3=CC=CC=C3 PH004407 [0,1,0,0,0,0|0,0,0]=1 9 B22R3.10622968 NC1N=C(C2=CC(=CC=C2NC1=O)Cl)C3=CC=CC=C3 PH005065 [0,1,0,0,0,0|0,0,0]=1 10 B22R3.11094439 CN1C(=S)CN=C(C2=CC(=CC=C12)Cl)C3=CC=CC=C3 PH002771 [0,1,0,0,0,0|0,1,0]=2 11 B20R2.15829 CC1=CC=C(C=C1)NC(=O)CSCC2=CC=CC=C2 S936758 [0,0,1,0,0,0|2,0,1]=4 12 B20R2.15829 CC1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=CC=C2 R717045 [0,0,1,0,0,0|2,1,0]=4 13 B20R2.15829 FC1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=CC=C2 L110329 [0,0,1,0,0,0|1,2,0]=4 14 B20R2.15829 O=C(CNCC1=CC=CC=C1)NC2=CC=C(C=C2)Cl R944378 [0,0,1,0,0,0|0,0,2]=3 15 B20R2.15829 O=C(CNCC1=CC=CC=C1)NC2=CC=C(C=C2)F R283274 [0,0,1,0,0,0|0,1,2]=4 16 B20R2.15829 O=C(CSCC1=CC=CC=C1)NC2=CC=C(C=C2)Br S936774 [0,0,1,0,0,0|1,1,1]=4 17 B20R2.15829 O=C(CSCC1=CC=CC=C1)NC2=CC=C(C=C2)Cl S946044 [0,0,1,0,0,0|1,0,1]=3 18 B20R2.15829 O=C(CSCC1=CC=CC=C1)NC2=CC=C(C=C2)F S936766 [0,0,1,0,0,0|1,1,1]=4 19 B20R2.15829 O=C(CSCC1=CC=CC=C1)NC2=CC=C(C=C2)I S936847 [0,0,1,0,0,0|1,1,1]=4 20 B20R2.15829 O=C(NCCC1=CC=CC=C1)NC2=CC=C(C=C2)Cl S279870 [0,0,1,0,0,0|2,0,1]=4 21 B20R2.15829 O=C(NCCC1=CC=CC=C1)NC2=CC=C(C=C2)Cl S613371 [0,0,1,0,0,0|2,0,1]=4 22 B20R2.251829 O=C(CCl)NC1=CC=C(C=C1OC2=CC=CC=C2)Cl S718041 [0,0,1,0,0,0|2,0,0]=3 23 B20R3.145206 CC1=CC=C2OC(=O)CC(C2=C1)C3=CC=CC=C3 PH004696 [0,0,0,0,1,0|2,0,1]=4 24 B20R3.145206 O=C1N=C(C2=C(N1)C=CC(=C2)Br)C3=CC=CC=C3 PH011314 [0,0,0,0,1,0|0,1,0]=2 25 B20R3.145206 O=C1N=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3 PH011667 [0,0,0,0,1,0|0,0,0]=1 26 B20R3.4658054 CC1=CSC2=C1C(=NCC(=O)N2)C3=CC=CC=C3 PH002570 [0,0,0,0,1,0|2,0,0]=3 27 B19R2.8900 O=C(CC1=CC=CC=C1)N/N=C/C2=CC=CC=C2 PH009289 [1,0,1,0,0,0|2,0,0]=4 28 B19R2.8900 O=C(N/N=C/C1=CC=CC=C1)NC2=CC=CC=C2 R707961 [1,0,1,0,0,0|1,0,0]=3 29 B19R2.8900 O=C(N/N=C/C1=CC=NC=C1)NC2=CC=CC=C2 PH009376 [1,0,1,0,0,0|2,0,0]=4 30 B19R2.8900 S=C(N/N=C/C1=CC=CC=C1)NC2=CC=CC=C2 R901725 [1,0,1,0,0,0|1,1,0]=4 31 B19R2.13577 CC(=O)NN=C(C1=CC=CC=C1)C2=CC=CC=C2 S598682 [1,0,1,0,0,0|2,0,0]=4 32 B19R2.13577 NC(=O)CNC(C1=CC=CC=C1)C2=CC=CC=C2 PH010603 [1,0,1,0,0,0|0,0,2]=4 33 B19R2.13577 NC(=O)N/N=C(/C1=CC=CC=C1)\C2=CC=CC=N2 PH009091 [1,0,1,0,0,0|2,0,0]=4 34 B19R2.13577 NC(=O)N/N=C(/C1=CC=CC=C1)\C2=CC=NC=C2 PH008980 [1,0,1,0,0,0|2,0,0]=4 35 B19R2.13577 NC(=S)NN=C(C1=CC=CC=C1)C2=CC=CC=C2 S599530 [1,0,1,0,0,0|1,1,0]=4 36 B19R2.13577 O=C(O)CC=C(C1=CC=CC=C1)C2=CC=CC=C2 S301671 [1,0,1,0,0,0|2,0,0]=4 37 B19R2.12914 O=C(CCl)NC1=C(C=CC=C1)CC2=CC=CC=C2 PH011718 [1,0,1,0,0,0|1,0,1]=4 38 B21R2.19225 O=C(CNCC1=CC=CC=C1)NC2=CC(=C(C=C2)Cl)Cl R944424 [0,1,1,0,0,0|0,0,2]=4 39 B21R2.19225 O=C(CSCC1=CC=CC=C1)NC2=CC(=C(C=C2)Cl)Cl S941808 [0,1,1,0,0,0|1,0,1]=4 40 B21R2.226291 CC1=C(C=CC(=C1)Cl)NC(=O)CSCC2=CC=CC=C2 S941816 [0,1,1,0,0,0|1,0,1]=4 41 B21R2.225988 CS(=O)(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2 S718300 [0,1,1,0,0,0|2,0,0]=4 42 B21R2.507331 CNC(=O)NC1=CC=C(C=C1C(=O)C2=CC=CC=C2)Cl S700487 [0,1,1,0,0,0|1,0,0]=3 43 B21R2.507331 O=C(CI)NC1=CC=C(C=C1C(=O)C2=CC=CC=C2)Cl PH005084 [0,1,1,0,0,0|1,0,0]=3 44 B21R3.163736 O=S1(=O)NN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3 PH006363 [0,1,0,0,1,0|2,0,0]=4 45 B21R3.6956274 O=C1C=C(C2=C(O1)C=C(C(=C2)Cl)O)C3=CC=CC=C3 R508500 [0,1,0,0,1,0|1,0,1]=4 46 B23R3.5055796 NNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3Cl PH004441 [0,2,0,0,0,0|1,0,1]=4 47 B23R3.434200716 FC1=CC=CC(=C1C2=NCC(=S)NC3=CC=C(C=C23)Cl)F PH002731 [0,2,0,0,0,0|0,1,0]=3 48 B23R3.434200716 O=C1CN=C(C2=CC(=CC=C2N1)Cl)C3=C(C=CC=C3F)F PH004329 [0,2,0,0,0,0|0,0,0]=2 49 B23R3.16509474 O=C1CS(=O)(=O)C(C2=CC(=CC=C2N1)Cl)C3=CC=CC=C3 PH002509 [0,2,0,0,0,0|1,0,1]=4 50 B23R3.46562797 COC1=CC(=CC=C1)C2=NCC(=S)NC3=C2C=C(C=C3)Cl PH004458 [0,2,0,0,0,0|0,1,0]=3 51 B21R3.866 O=C(NC1=CC=C(C=C1)Cl)N2N=NC3=C2C=CC=C3 PH006065 [0,0,1,1,0,0|2,0,0]=4 52 B21R3.29706 SC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=CC=C3 R911720 [0,0,1,1,0,0|1,1,0]=4 53 B21R3.30681 O=C(NC1=CC=C(C=C1)Cl)C2CC2C3=CC=CC=C3 R129410 [0,0,1,1,0,0|1,0,1]=4 54 B21R3.6927205 O=C1CC2=C(N1)C(=CC(=C2)Cl)C(=O)C3=CC=CC=C3 PH005881 [0,0,1,1,0,0|1,0,0]=3 55 B19R2.4201 CC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=CC=C2 R697613 [0,0,1,0,1,0|2,0,0]=4 56 B19R2.4201 O=C(N/N=C/C1=CC=CC=C1)C2=CC=C(C=C2)Cl R699616 [0,0,1,0,1,0|1,0,0]=3 57 B19R2.4201 O=C(N/N=C/C1=CC=CC=C1)C2=CC=C(C=C2)O R697591 [0,0,1,0,1,0|2,0,0]=4 58 B19R2.11857 CC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2 R645451 [0,0,1,0,1,0|1,0,1]=4 59 B19R2.11857 CC1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2 R342556 [0,0,1,0,1,0|2,0,0]=4 60 B19R2.11857 CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2 R550094 [0,0,1,0,1,0|2,0,0]=4 61 B19R2.11857 O=C(/C=C/C1=CC=CC=C1)NC2=CC=C(C=C2)Br R645648 [0,0,1,0,1,0|0,1,1]=4 62 B19R2.11857 O=C(/C=C/C1=CC=CC=C1)NC2=CC=C(C=C2)F R645427 [0,0,1,0,1,0|0,1,1]=4 63 B19R2.11857 O=C(/C=C/C1=CC=CC=C1)NC2=CC=C(C=C2)O R645249 [0,0,1,0,1,0|1,0,1]=4 64 B19R2.11857 O=C(CCC1=CC=CC=C1)NC2=CC=C(C=C2)F S720828 [0,0,1,0,1,0|0,1,1]=4 65 B19R2.11857 O=C(COC1=CC=CC=C1)NC2=CC=C(C=C2)Br R467391 [0,0,1,0,1,0|1,1,0]=4 66 B19R2.11857 O=C(COC1=CC=CC=C1)NC2=CC=C(C=C2)F R644609 [0,0,1,0,1,0|1,1,0]=4 67 B19R2.11857 O=C(COC1=CC=CC=C1)NC2=CC=C(C=C2)O R467286 [0,0,1,0,1,0|2,0,0]=4 68 B19R2.11857 O=C(CSC1=CC=CC=C1)NC2=CC=C(C=C2)Br R550116 [0,0,1,0,1,0|1,1,0]=4 69 B19R2.11857 O=C(CSC1=CC=CC=C1)NC2=CC=C(C=C2)Cl R550108 [0,0,1,0,1,0|1,0,0]=3 70 B19R2.11857 O=C(CSC1=CC=CC=N1)NC2=CC=C(C=C2)Cl R944211 [0,0,1,0,1,0|2,0,0]=4 71 B19R2.11857 O=C(NCC1=CC=CC=C1)NC2=CC=C(C=C2)Cl S591491 [0,0,1,0,1,0|0,0,2]=4 72 B19R2.11857 O=C(NNC1=CC=CC=C1)NC2=CC=C(C=C2)Cl S591432 [0,0,1,0,1,0|1,0,1]=4 73 B19R3.294 OC1=CC2=C(C=CC=C2)C(=N1)C3=CC=CC=C3 PH008043 [1,0,0,0,1,0|1,0,1]=4 74 B19R3.9008 ClC1=NN=C(C2=C1C=CC=C2)C3=CC=CC=C3 S15238 [1,0,0,0,1,0|2,0,0]=4 75 B19R3.9008 O=C1CCC(C2=C1C=CC=C2)C3=CC=CC=C3 PH006823 [1,0,0,0,1,0|1,0,1]=4 76 B19R3.9008 O=C1NN=C(C2=C1C=CC=C2)C3=CC=CC=C3 R818542 [1,0,0,0,1,0|1,0,0]=3 77 B19R3.9008 O=C1ON=C(C2=C1C=CC=C2)C3=CC=CC=C3 S847143 [1,0,0,0,1,0|1,0,0]=3 78 B19R3.4037 CC1=CC2=C(C=C1)NC(=C2C3=CC=CC=C3)C CDS020849 [0,0,0,0,2,0|2,0,0]=4 79 B19R3.4037 O=C1OC2=CC=C(C=C2C1C3=CC=CC=C3)Cl PH009437 [0,0,0,0,2,0|1,0,1]=4 80 B21R2.18995 CC1=CC=C(C=C1)NCC(=O)N/N=C/C2=CC=CC=C2 R747963 [0,0,1,0,0,1|2,0,0]=4 81 B21R2.18995 O=C(COC1=CC=C(C=C1)Cl)N/N=C/C2=CC=CC=C2 R698113 [0,0,1,0,0,1|2,0,0]=4 82 B21R2.19850 CC1=CC=C(C=C1)NC(=O)OC/C=C/C2=CC=CC=C2 S730904 [0,0,1,0,0,1|2,0,0]=4 83 B21R2.19850 O=C(NC1=CC=C(C=C1)Br)OC/C=C/C2=CC=CC=C2 S900036 [0,0,1,0,0,1|1,1,0]=4