0 B21R3.590553 ClCCCN1C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-3461350417 [0,0,0,0,0,0|1,0,0]=1 1 B21R3.590553 N#CCCN1C2=CC(=CC=C2SC3=C1C=CC=C3)Cl MCULE-9825662778 [0,0,0,0,0,0|0,0,2]=2 2 B20R3.178701 CCCC1=C2C=C(C=CC2=NC3=CC=CC=C13)Cl MCULE-6330725559 [1,0,0,0,0,0|2,0,0]=3 3 B20R3.368533 N#CCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-7440619659 [1,0,0,0,0,0|0,0,2]=3 4 B20R3.368533 NCCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-3131107288 [1,0,0,0,0,0|0,0,0]=1 5 B20R3.368533 NCCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-8866371003 [1,0,0,0,0,0|0,0,0]=1 6 B20R3.368533 NCCCN1C2=CC=CC=C2OC3=C1C=CC=C3 MCULE-4766118003 [1,0,0,0,0,0|0,1,0]=2 7 B22R3.12627800 CNCC/C=C\1/C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-4509603180 [0,1,0,0,0,0|1,0,1]=3 8 B22R3.12627800 CNCCC=C1C2=CC=CC=C2SC3=CC=C(C=C13)Cl MCULE-1610785850 [0,1,0,0,0,0|1,0,1]=3 9 B22R3.13446917 NCCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-7265174685 [0,1,0,0,0,0|0,0,1]=2 10 B22R3.13446917 O=C(CCCl)N1C2=CC(=CC=C2SC3=C1C=CC=C3)Cl MCULE-5548527234 [0,1,0,0,0,0|1,0,1]=3 11 B22R3.15879846 COC(=O)CN1C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-3447461812 [0,1,0,0,0,0|2,0,1]=4 12 B22R3.93866040 NCCCN1C2=CC(=CC=C2S(=O)C3=C1C=CC=C3)Cl MCULE-4801593568 [0,1,0,0,0,0|0,0,1]=2 13 B20R2.4909 CCCCN(C1=CC=CC=C1)C2=CC(=CC=C2F)Br MCULE-5048153510 [0,0,1,0,0,0|2,1,0]=4 14 B22R3.5557550 OCCNC1CC2=C(C=CC(=C2)Cl)SC3=C1C=CC=C3 MCULE-1541248806 [0,0,0,0,0,1|3,0,0]=4 15 B22R3.13809978 ClCCCN1C2=CC(=CC=C2CCC3=C1C=CC=C3)Cl MCULE-3413857766 [0,0,0,0,0,1|2,0,0]=3 16 B22R3.13809978 NCCCN1C2=CC=CC=C2CCC3=CC=C(C=C13)Cl MCULE-1731714872 [0,0,0,0,0,1|1,0,0]=2 17 B19R2.31 CCCCN(C1=CC=CC=C1)C2=CC(=CC=C2)Br MCULE-7017887223 [1,0,1,0,0,0|1,1,0]=4 18 B19R2.9739 CCCN(C1=CC=CC=C1)C2=CC(=CC=C2F)Br MCULE-4858951568 [1,0,1,0,0,0|1,1,0]=4 19 B19R2.8977 NCCCOC1=CC=CC=C1OC2=CC=CC=C2 MCULE-5984966353 [1,0,1,0,0,0|1,1,0]=4 20 B19R3.109688 C=CCN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-6323002327 [2,0,0,0,0,0|0,0,2]=4 21 B19R3.109688 CCCC1=C2C=CC=CC2=NC3=CC=CC=C13 MCULE-9374350119 [2,0,0,0,0,0|2,0,0]=4 22 B19R3.109688 CCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-1701446712 [2,0,0,0,0,0|0,0,0]=2 23 B19R3.109688 NCCN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-3646571849 [2,0,0,0,0,0|0,0,0]=2 24 B19R3.109688 NCCN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-4448381896 [2,0,0,0,0,0|0,0,0]=2 25 B19R3.1757536 CCC1=C2C=C(C=CC2=NC3=CC=CC=C13)Cl MCULE-8802912293 [2,0,0,0,0,0|2,0,0]=4 26 B19R3.1757536 CCN1C2=CC(=O)C=CC2=NC3=C1C=CC=C3 MCULE-8473773954 [2,0,0,0,0,0|2,0,0]=4 27 B21R2.25103 CCCC[C@@H](N)C1=CC=CC=C1SC2=CC=C(C=C2)Cl MCULE-3898200041 [0,1,1,0,0,0|2,0,0]=4 28 B21R2.25103 CCCC[C@@H](N)C1=CC=CC=C1SC2=CC=C(C=C2)Cl MCULE-6152266610 [0,1,1,0,0,0|2,0,0]=4 29 B21R2.25103 CCCC[C@H](N)C1=CC=CC=C1SC2=CC=C(C=C2)Cl MCULE-6765116670 [0,1,1,0,0,0|2,0,0]=4 30 B21R2.25103 CCCC[C@H](N)C1=CC=CC=C1SC2=CC=C(C=C2)Cl MCULE-7484197927 [0,1,1,0,0,0|2,0,0]=4 31 B21R2.25103 NCCC[C@@H](N)C1=CC=CC=C1SC2=CC=C(C=C2)Cl MCULE-2221135730 [0,1,1,0,0,0|1,0,0]=3 32 B21R2.25103 NCCC[C@@H](N)C1=CC=CC=C1SC2=CC=C(C=C2)Cl MCULE-5293869820 [0,1,1,0,0,0|1,0,0]=3 33 B21R2.25103 NCCC[C@H](N)C1=CC=CC=C1SC2=CC=C(C=C2)Cl MCULE-5063738047 [0,1,1,0,0,0|1,0,0]=3 34 B21R2.25103 NCCC[C@H](N)C1=CC=CC=C1SC2=CC=C(C=C2)Cl MCULE-8701994047 [0,1,1,0,0,0|1,0,0]=3 35 B21R2.25103 N[C@@H](CCCO)C1=CC=CC=C1SC2=CC=C(C=C2)Cl MCULE-4486706150 [0,1,1,0,0,0|2,0,0]=4 36 B21R2.25103 N[C@@H](CCCO)C1=CC=CC=C1SC2=CC=C(C=C2)Cl MCULE-9674718114 [0,1,1,0,0,0|2,0,0]=4 37 B21R2.25103 N[C@H](CCCO)C1=CC=CC=C1SC2=CC=C(C=C2)Cl MCULE-2521795627 [0,1,1,0,0,0|2,0,0]=4 38 B21R2.25103 N[C@H](CCCO)C1=CC=CC=C1SC2=CC=C(C=C2)Cl MCULE-6119921853 [0,1,1,0,0,0|2,0,0]=4 39 B21R3.9510289 O=C(CCl)N1C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-3571837576 [1,1,0,0,0,0|1,0,1]=4 40 B21R3.590137 ClCCCN1C2=CC=CC=C2SC3=C1C=CC(=C3)Cl MCULE-9290872744 [1,1,0,0,0,0|1,0,0]=3 41 B21R3.7877738 CN(C)CCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-2432442328 [1,1,0,0,0,0|2,0,0]=4 42 B21R3.7877738 CN(C)CCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-6877848962 [1,1,0,0,0,0|2,0,0]=4 43 B21R3.7877738 O=C(O)CCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-5383919490 [1,1,0,0,0,0|1,0,1]=4 44 B21R3.8069667 CNCCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-2846422713 [1,1,0,0,0,0|0,0,0]=2 45 B21R3.8069667 NCCCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-4965768353 [1,1,0,0,0,0|0,0,0]=2 46 B21R3.8069667 NCCCNC1=C2C=CC=CC2=NC3=CC=CC=C13 MCULE-3707668043 [1,1,0,0,0,0|2,0,0]=4 47 B21R3.8069667 NCCCNC1=C2C=CC=CC2=NC3=CC=CC=C13 MCULE-8637364932 [1,1,0,0,0,0|2,0,0]=4 48 B21R3.8481400 CCCC(=O)N1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-4700215970 [1,1,0,0,0,0|1,0,1]=4 49 B21R3.8481400 NCCC(=O)N1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-9679720674 [1,1,0,0,0,0|0,0,1]=3 50 B21R3.8481400 NCCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-7513683180 [1,1,0,0,0,0|0,0,1]=3 51 B21R3.8481400 NCC[C@@H](N)C1=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-3488733023 [1,1,0,0,0,0|2,0,0]=4 52 B21R3.8481400 NCC[C@@H](N)C1=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-8619991211 [1,1,0,0,0,0|2,0,0]=4 53 B21R3.8481400 NCC[C@H](N)C1=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-5914088755 [1,1,0,0,0,0|2,0,0]=4 54 B21R3.8481400 NCC[C@H](N)C1=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-7301989135 [1,1,0,0,0,0|2,0,0]=4 55 B21R3.8481400 O=C(CCCl)N1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-3000177311 [1,1,0,0,0,0|1,0,1]=4 56 B21R3.8911725 CCCCN1C2=C(C=CC=C2)S(=O)C3=C1C=CC=C3 MCULE-3255819031 [1,1,0,0,0,0|1,0,1]=4 57 B21R3.9759201 CNC(C)CN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-3162338826 [1,1,0,0,0,0|2,0,0]=4 58 B21R3.9759201 CNC(C)CN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-8922032301 [1,1,0,0,0,0|2,0,0]=4 59 B21R3.9759201 NNC(=O)CN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-6642832515 [1,1,0,0,0,0|1,0,1]=4 60 B23R3.4962297 CCCCNC1CC2=C(C=CC(=C2)Cl)SC3=C1C=CC=C3 MCULE-5491752370 [0,1,0,0,0,1|2,0,0]=4 61 B23R3.4962297 CCCCNC1CC2=C(C=CC(=C2)Cl)SC3=C1C=CC=C3 MCULE-8484628436 [0,1,0,0,0,1|2,0,0]=4 62 B23R3.4962297 OCCCNC1CC2=CC(=CC=C2SC3=CC=CC=C13)Cl MCULE-1687140540 [0,1,0,0,0,1|2,0,0]=4 63 B23R3.4962297 OCCCNC1CC2=CC(=CC=C2SC3=CC=CC=C13)Cl MCULE-7916500358 [0,1,0,0,0,1|2,0,0]=4 64 B23R3.38836458 CNCCCN1C2=C(C=CC=C2)CCC3=C1C=C(C=C3)Cl MCULE-6661788203 [0,1,0,0,0,1|1,0,0]=3 65 B23R3.38836458 CNCCCN1C2=C(C=CC=C2)CCC3=C1C=C(C=C3)Cl MCULE-7878739491 [0,1,0,0,0,1|1,0,0]=3 66 B23R3.10324912 CN(C)CC/C=C\1/C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-8112602039 [0,2,0,0,0,0|1,0,1]=4 67 B23R3.10324912 CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-7149047798 [0,2,0,0,0,0|1,0,1]=4 68 B23R3.10324912 CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-4912229237 [0,2,0,0,0,0|1,0,1]=4 69 B23R3.10324912 CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-7221241811 [0,2,0,0,0,0|1,0,1]=4 70 B23R3.10324912 CN(C)CCCC1C2=CC(=CC=C2NC3=C1C=CC=C3)Cl MCULE-2714985119 [0,2,0,0,0,0|2,0,0]=4 71 B23R3.10324912 CN(C)CCCN1C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-5976054678 [0,2,0,0,0,0|0,0,0]=2 72 B23R3.10324912 CN(C)CCCN1C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-8792081568 [0,2,0,0,0,0|0,0,0]=2 73 B23R3.10324912 CN(C)CCCN1C2=CC(=CC=C2SC3=C1C=CC=C3)Br MCULE-6965276497 [0,2,0,0,0,0|0,1,0]=3 74 B23R3.10324912 CN(C)CCCN1C2=CC(=CC=C2SC3=C1C=CC=C3)Br MCULE-9356559118 [0,2,0,0,0,0|0,1,0]=3 75 B23R3.10324912 CN(C)CCCN1C2=CC(=CC=C2SC3C1C=CC=C3)Cl MCULE-3468314078 [0,2,0,0,0,0|0,0,2]=4 76 B23R3.10324912 CN(C)CCCN1C2=CC(=CC=C2SC3C1C=CC=C3)Cl MCULE-7048402492 [0,2,0,0,0,0|0,0,2]=4 77 B23R3.32306484 NCCCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-1104816873 [0,2,0,0,0,0|0,0,0]=2 78 B23R3.32306484 [NH3+]CCCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-9143036995 [0,2,0,0,0,0|0,0,1]=3 79 B23R3.22437456 CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN MCULE-5550634582 [0,2,0,0,0,0|1,0,0]=3 80 B23R3.31148176 COC1=CC=C2SC3=C(C=CC=C3)N(C2=C1)CC(C)CCl MCULE-6829917541 [0,2,0,0,0,0|2,0,0]=4 81 B23R3.174051485 CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3N2CCCN)C MCULE-4926623734 [0,2,0,0,0,0|2,0,0]=4 82 B23R3.174051485 CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3N2CCCN)C MCULE-7274905630 [0,2,0,0,0,0|2,0,0]=4 83 B23R3.174051485 CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3N2CCCN)C MCULE-9156023799 [0,2,0,0,0,0|2,0,0]=4 84 B21R3.30620 ClC1=CC=C(C=C1)SC2=CC=CC=C2[C@@H]3CCCN3 MCULE-2533512614 [0,0,1,1,0,0|1,0,0]=3 85 B21R3.30620 ClC1=CC=C(C=C1)SC2=CC=CC=C2[C@@H]3CCCN3 MCULE-6552784738 [0,0,1,1,0,0|1,0,0]=3 86 B21R3.30620 ClC1=CC=C(C=C1)SC2=CC=CC=C2[C@H]3CCCN3 MCULE-1204562268 [0,0,1,1,0,0|1,0,0]=3 87 B21R3.30620 ClC1=CC=C(C=C1)SC2=CC=CC=C2[C@H]3CCCN3 MCULE-1430479335 [0,0,1,1,0,0|1,0,0]=3 88 B21R4.69256 C1=CC=C2C(=C1)C=C3C=CC=CC3=C2[C@@H]4CCN4 MCULE-1460816602 [1,0,0,1,0,0|2,0,0]=4 89 B21R4.69256 C1=CC=C2C(=C1)C=C3C=CC=CC3=C2[C@@H]4CCN4 MCULE-2562144359 [1,0,0,1,0,0|2,0,0]=4 90 B21R4.69256 C1=CC=C2C(=C1)C=C3C=CC=CC3=C2[C@H]4CCN4 MCULE-4688796511 [1,0,0,1,0,0|2,0,0]=4 91 B21R4.69256 C1=CC=C2C(=C1)C=C3C=CC=CC3=C2[C@H]4CCN4 MCULE-7093594206 [1,0,0,1,0,0|2,0,0]=4 92 B21R4.754368 NCC1CC2C3=C(C1C4=C2C=CC=C4)C=CC=C3 MCULE-3309065217 [1,0,0,1,0,0|2,0,0]=4 93 B21R4.754368 NCC1CC2C3=C(C1C4=C2C=CC=C4)C=CC=C3 MCULE-7387652405 [1,0,0,1,0,0|2,0,0]=4 94 B19R3.223646 BrCCCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-2237750727 [1,0,0,0,1,0|1,0,0]=3 95 B19R3.223646 CCCCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-5790669497 [1,0,0,0,1,0|1,0,0]=3 96 B19R3.223646 CCOCN1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-5224304020 [1,0,0,0,1,0|2,0,0]=4 97 B19R3.223646 N#CCCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-5905138412 [1,0,0,0,1,0|0,0,2]=4 98 B19R3.223646 NCCCN1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-2143522515 [1,0,0,0,1,0|0,0,0]=2 99 B19R3.223646 NCCCN1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-7991975100 [1,0,0,0,1,0|0,0,0]=2