0 B19R2.155442 CCC(C)C(C(=O)O)N1CC2=CC=CC=C2C1=O MCULE-7491740714 [0,0,0,0,0,0|0,0,0]=0 1 B19R2.155442 CCC(C)C(C(=O)O)N1SC2=CC=CC=C2C1=O MCULE-2695180213 [0,0,0,0,0,0|1,0,0]=1 2 B19R2.155442 CC[C@@H](C)[C@@H](C(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-5850633175 [0,0,0,0,0,0|0,0,0]=0 3 B19R2.155442 CC[C@H](C)[C@@H](C(=O)N)N1CC2=NC=CC=C2C1=O MCULE-8360709261 [0,0,0,0,0,0|2,0,0]=2 4 B19R2.155442 CC[C@H](C)[C@@H](C(=O)O)N1CC2=CC=CC=C2C1=O MCULE-1826543000 [0,0,0,0,0,0|0,0,0]=0 5 B18R2.42234 CC(C)C(C(=O)O)N1CC2=CC=CC=C2C1=O MCULE-6344454002 [1,0,0,0,0,0|0,0,0]=1 6 B18R2.42234 CC(C)C(C(=O)O)N1CC2=CC=CN=C2C1=O MCULE-3802435412 [1,0,0,0,0,0|1,0,0]=2 7 B18R2.42234 CC(C)C(C(=O)O)N1SC2=CC=CC=C2C1=O MCULE-5990667159 [1,0,0,0,0,0|1,0,0]=2 8 B18R2.42234 CC(C)[C@@H](C(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-3297925644 [1,0,0,0,0,0|0,0,0]=1 9 B18R2.42234 CC(C)[C@@H](C(=O)O)N1CC2=CC=CC=C2C1=O MCULE-1529085548 [1,0,0,0,0,0|0,0,0]=1 10 B18R2.42234 CC(C)[C@@H](C(=O)O)N1SC2=CC=CC=C2C1=O MCULE-4966317131 [1,0,0,0,0,0|1,0,0]=2 11 B18R2.42234 CC(C)[C@@H](C(=O)O)N1SC2=CC=CC=C2C1=O MCULE-8245201728 [1,0,0,0,0,0|1,0,0]=2 12 B18R2.42234 CC(C)[C@H](C(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-1814987413 [1,0,0,0,0,0|0,0,0]=1 13 B18R2.42234 CC(C)[C@H](C(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-3964364055 [1,0,0,0,0,0|0,0,0]=1 14 B18R2.42234 C[C@H](O)C(C(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-3492376536 [1,0,0,0,0,0|1,0,0]=2 15 B18R2.42234 C[C@H](O)[C@H](C(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-4190554161 [1,0,0,0,0,0|1,0,0]=2 16 B18R2.74648 CCCC(C(=O)O)N1CC2=CC=CC=C2C1=O MCULE-7366860631 [1,0,0,0,0,0|0,0,0]=1 17 B18R2.74648 CCCC(C(=O)O)N1SC2=CC=CC=C2C1=O MCULE-7983015685 [1,0,0,0,0,0|1,0,0]=2 18 B18R2.74648 CCC[C@@H](C(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-8743654959 [1,0,0,0,0,0|0,0,0]=1 19 B18R2.74648 CSCC(C(=O)O)N1CC2=CC=CC=C2C1=O MCULE-8687454979 [1,0,0,0,0,0|1,0,0]=2 20 B18R2.74648 CSC[C@H](C(=O)O)N1CC2=CC=CC=C2C1=O MCULE-8306875111 [1,0,0,0,0,0|1,0,0]=2 21 B20R2.1347724 CCC(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O MCULE-9980236571 [0,1,0,0,0,0|0,0,1]=2 22 B20R2.1347724 CC[C@H](C)[C@@H](C(=O)O)N1C(=O)C2=C(C1=O)C=CC=C2 MCULE-1449878234 [0,1,0,0,0,0|0,0,1]=2 23 B20R2.1347724 CC[C@H](C)[C@@H](C(=O)O)N1C(=O)C2=C(C1=O)C=CC=C2 MCULE-2202068555 [0,1,0,0,0,0|0,0,1]=2 24 B20R2.1329977 CCC(C)C(CC(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-5661611403 [0,0,0,0,0,1|0,0,0]=1 25 B20R2.2162806 CCC(C)C(C(=O)O)N1C=NC2=C(C1=O)C=CC=C2 MCULE-7705294507 [0,0,0,0,0,1|0,0,1]=2 26 B20R2.2162806 CCC(C)C(C(=O)O)N1N=NC2=CC=CC=C2C1=O MCULE-1163244516 [0,0,0,0,0,1|1,0,0]=2 27 B20R2.2162806 CC[C@@H](C)[C@@H](C(=O)O)N1N=NC2=CC=CC=C2C1=O MCULE-4692052988 [0,0,0,0,0,1|1,0,0]=2 28 B20R2.2162806 CC[C@@H](C)[C@@H](C(=O)O)N1N=NC2=CC=CC=C2C1=O MCULE-5045572007 [0,0,0,0,0,1|1,0,0]=2 29 B20R2.2162806 CC[C@H](C)[C@@H](C(=O)O)N1C=NC2=C(C1=O)C=CC=C2 MCULE-8129709532 [0,0,0,0,0,1|0,0,1]=2 30 B20R2.2162806 CC[C@H](C)[C@@H](C(=O)O)N1N=NC2=C(C1=O)C=CC=C2 MCULE-2172078937 [0,0,0,0,0,1|1,0,0]=2 31 B17R1.4457 CCCC(NC(=O)C1=CN=CN=C1C)C(=O)O MCULE-4799916328 [1,0,1,0,0,0|2,0,0]=4 32 B17R1.4457 CSC[C@H](NC(=O)C1=C(N=CC=C1)C)C(=O)O MCULE-8638147749 [1,0,1,0,0,0|2,0,0]=4 33 B17R1.65738 CC(C)C(NC(=O)C1=C(C=CC=C1)Br)C(=O)O MCULE-9615835271 [1,0,1,0,0,0|1,0,0]=3 34 B17R1.65738 CC(C)C(NC(=O)C1=C(C=CC=C1)Cl)C(=O)O MCULE-1249895005 [1,0,1,0,0,0|1,0,0]=3 35 B17R1.65738 CC(C)C(NC(=O)C1=C(C=CC=C1)Cl)C(=O)[O-] MCULE-2232514967 [1,0,1,0,0,0|1,0,1]=4 36 B17R1.65738 CC(C)C(NC(=O)C1=C(C=CC=C1)O)C(=O)O MCULE-9038459713 [1,0,1,0,0,0|1,0,0]=3 37 B17R1.65738 CC(O)C(NC(=O)C1=CC=CC=C1Cl)C(=O)O MCULE-5194986023 [1,0,1,0,0,0|2,0,0]=4 38 B17R1.65738 CC1=C(C=CC=C1)C(=O)NC(C(=O)O)C(C)C MCULE-5286891051 [1,0,1,0,0,0|0,0,0]=2 39 B17R1.16512 CC(C)C(C(=O)O)N(C)C(=O)C1=CC=CC=C1 MCULE-5379773059 [1,0,1,0,0,0|0,0,0]=2 40 B17R1.24747 CCC(C)C(C(=O)O)N(C)CC1=CC=CC=C1 MCULE-1406349367 [1,0,1,0,0,0|0,0,1]=3 41 B17R1.24747 CC[C@H](C)[C@@H](C(=O)O)N(C)CC1=CC=CC=C1 MCULE-2928688717 [1,0,1,0,0,0|0,0,1]=3 42 B17R1.24747 CC[C@H](C)[C@@H](C(=O)O)N(C)CC1=CC=CC=C1 MCULE-6770841135 [1,0,1,0,0,0|0,0,1]=3 43 B17R1.24747 CC[C@H](C)[C@@H](C(=O)O)N(C)CC1=CC=CC=C1 MCULE-7371610087 [1,0,1,0,0,0|0,0,1]=3 44 B17R1.27011 COC1=CC=CC=C1CNC(C(=O)O)C(C)C MCULE-1651790969 [1,0,1,0,0,0|2,0,0]=4 45 B17R1.27011 COC1=CC=CC=C1CNC(C(=O)O)C(C)C MCULE-8558139630 [1,0,1,0,0,0|2,0,0]=4 46 B17R2.11536 CCC(C(=O)O)N1CC2=CC=CC=C2C1=O MCULE-3908797710 [2,0,0,0,0,0|0,0,0]=2 47 B17R2.11536 CC[C@@H](C(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-1574227113 [2,0,0,0,0,0|0,0,0]=2 48 B17R2.11536 CC[C@H](C(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-6820529735 [2,0,0,0,0,0|0,0,0]=2 49 B17R2.11536 O=C(O)C(CO)N1CC2=C(C1=O)C=CC=C2 MCULE-5626934186 [2,0,0,0,0,0|1,0,0]=3 50 B19R2.637741 CC(C)C(C(=O)Cl)N1C(=O)C2=CC=CC=C2C1=O MCULE-9856389973 [1,1,0,0,0,0|1,0,1]=4 51 B19R2.637741 CC(C)C(C(=O)O)N1C(=O)C2=C(C1=O)C=CC=C2 MCULE-9293149973 [1,1,0,0,0,0|0,0,1]=3 52 B19R2.637741 CC(C)C(C(=O)O)N1C(=O)C2=CC=CN=C2C1=O MCULE-8902296238 [1,1,0,0,0,0|1,0,1]=4 53 B19R2.637741 CC(C)C(C(=O)O)N1C(=O)C2=CC=NC=C2C1=O MCULE-8166256004 [1,1,0,0,0,0|1,0,1]=4 54 B19R2.637741 CC(C)[C@@H](C(=O)O)N1C(=O)C2=C(C1=O)C=CC=C2 MCULE-1842805426 [1,1,0,0,0,0|0,0,1]=3 55 B19R2.637741 CC(C)[C@@H](C(=O)O)N1C(=O)C2=C(C1=O)C=CC=C2 MCULE-8293251904 [1,1,0,0,0,0|0,0,1]=3 56 B19R2.637741 CC(C)[C@@H](C(=O)O)N1C(=O)C2=CC=CN=C2C1=O MCULE-1878148928 [1,1,0,0,0,0|1,0,1]=4 57 B19R2.637741 CC(C)[C@@H](C(=O)O)N1C(=O)C2=CC=NC=C2C1=O MCULE-1238062380 [1,1,0,0,0,0|1,0,1]=4 58 B19R2.637741 CC(C)[C@@H](C(=O)O)N1C(=O)C2=CC=NC=C2C1=O MCULE-8399243910 [1,1,0,0,0,0|1,0,1]=4 59 B19R2.637871 CC(C)(C)C(C(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-8569206572 [1,1,0,0,0,0|0,0,0]=2 60 B19R2.637871 CC(C)(C)[C@@H](C(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-3664865032 [1,1,0,0,0,0|0,0,0]=2 61 B19R2.637871 CC(C)(C)[C@@H](C(=O)O)N1CC2=CC=CC=C2C1=O MCULE-8286411296 [1,1,0,0,0,0|0,0,0]=2 62 B19R2.66002 CC(C)CC(C(=O)O)N1CC2=CC=CC=C2C1=O MCULE-9071809984 [1,1,0,0,0,0|0,0,0]=2 63 B19R2.66002 CC(C)CC(C(=O)O)N1SC2=CC=CC=C2C1=O MCULE-2382363240 [1,1,0,0,0,0|1,0,0]=3 64 B19R2.66002 CC(C)C[C@@H](C(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-8329136548 [1,1,0,0,0,0|0,0,0]=2 65 B19R2.66002 CC(C)C[C@@H](C(=O)O)N1SC2=CC=CC=C2C1=O MCULE-8800927565 [1,1,0,0,0,0|1,0,0]=3 66 B19R2.66002 CC(C)C[C@H](C(=O)O)N1CC2=CC=CC=C2C1=O MCULE-6248272706 [1,1,0,0,0,0|0,0,0]=2 67 B19R2.66002 O=C(O)CC(C(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-4703225279 [1,1,0,0,0,0|1,0,1]=4 68 B19R2.123953 CCCC(C(=O)O)N1C(=O)C2=C(C1=O)C=CC=C2 MCULE-6737213546 [1,1,0,0,0,0|0,0,1]=3 69 B19R2.123953 CCC[C@@H](C(=O)Cl)N1C(=O)C2=C(C1=O)C=CC=C2 MCULE-3856516901 [1,1,0,0,0,0|1,0,1]=4 70 B19R2.160824 CCCCC(C(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-4695597446 [1,1,0,0,0,0|0,0,0]=2 71 B19R2.160824 CSCCC(C(=O)O)N1CC2=CC=CC=C2C1=O MCULE-1960417344 [1,1,0,0,0,0|0,0,0]=2 72 B19R2.160824 CSCC[C@@H](C(=O)O)N1CC2=CC=CC=C2C1=O MCULE-3248475855 [1,1,0,0,0,0|0,0,0]=2 73 B21R2.2306754 CCC(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2NC1=S MCULE-8596083190 [0,1,0,0,0,1|0,1,1]=4 74 B21R2.2306754 CCC(C)C(C(=O)O)N1C(=O)NC2=CC=CC=C2C1=O MCULE-1091365029 [0,1,0,0,0,1|0,0,1]=3 75 B21R2.4708865 CCC(CC)C(CC(=O)O)N1CC2=C(C1=O)C=CC=C2 MCULE-7935397249 [0,1,0,0,0,1|0,0,0]=2 76 B19R3.96581 O=C(O)C1CS(=O)C2N1C(=O)C3=C2C=CC=C3 MCULE-4187398682 [1,0,0,1,0,0|2,0,0]=4 77 B19R2.5731 CC(C)C(C(=O)O)N1C=NC2=CC=CC=C2C1=O MCULE-4538491737 [1,0,0,0,0,1|0,0,1]=3 78 B19R2.5731 CC(C)C(C(=O)O)N1N=NC2=C(C1=O)C=CC=C2 MCULE-1218785653 [1,0,0,0,0,1|1,0,0]=3 79 B19R2.5731 CC(C)[C@@H](C(=O)O)N1C=NC2=CC=CC=C2C1=O MCULE-5815387307 [1,0,0,0,0,1|0,0,1]=3 80 B19R2.5731 CC(C)[C@@H](C(=O)O)N1N=NC2=CC=CC=C2C1=O MCULE-7064219133 [1,0,0,0,0,1|1,0,0]=3 81 B19R2.5731 CC(C)[C@H](C(=O)O)N1C=NC2=CC=CC=C2C1=O MCULE-3149940630 [1,0,0,0,0,1|0,0,1]=3 82 B19R2.5731 CC(C)[C@H](C(=O)O)N1C=NC2=CC=CC=C2C1=O MCULE-7614390036 [1,0,0,0,0,1|0,0,1]=3