0 B19R3.1761344 C1=CSC(=C1)C2(CCCCC2)N3CCCCC3 MCULE-6412932499 [0,0,0,0,0,0|0,0,0]=0 1 B20R3.8115 CC1CCCCC1(C2=CC=CS2)N3CCCCC3 MCULE-4317997384 [0,1,0,0,0,0|0,0,0]=1 2 B20R3.8115 CC1CCCCC1(C2=CC=CS2)N3CCCCC3 MCULE-4354704053 [0,1,0,0,0,0|0,0,0]=1 3 B20R3.8115 C[C@H]1CCCC[C@@]1(C2=CC=CS2)N3CCCCC3 MCULE-7842609984 [0,1,0,0,0,0|0,0,0]=1 4 B20R3.8115 C[C@H]1CCCC[C@@]1(C2=CC=CS2)N3CCCCC3 MCULE-9514106124 [0,1,0,0,0,0|0,0,0]=1 5 B20R3.8115 C[C@H]1CCCC[C@]1(C2=CC=CS2)N3CCCCC3 MCULE-9593082491 [0,1,0,0,0,0|0,0,0]=1 6 B18R2.2431 CCCCC[C@@H](C1=CC=CN1)N2CCNCC2 MCULE-6003102179 [0,0,1,0,0,0|2,0,0]=3 7 B18R2.2431 CCCCC[C@@H](C1=CC=CN1)N2CCNCC2 MCULE-9852347571 [0,0,1,0,0,0|2,0,0]=3 8 B18R2.2431 CCCCC[C@@H](C1=CC=CO1)N2CCNCC2 MCULE-1838343760 [0,0,1,0,0,0|1,1,0]=3 9 B18R2.2431 CCCCC[C@@H](C1=CC=CO1)N2CCNCC2 MCULE-3027108976 [0,0,1,0,0,0|1,1,0]=3 10 B18R2.2431 CCCCC[C@@H](C1=CC=CS1)N2CCNCC2 MCULE-5009959415 [0,0,1,0,0,0|1,0,0]=2 11 B18R2.2431 CCCCC[C@@H](C1=CC=CS1)N2CCNCC2 MCULE-5997173243 [0,0,1,0,0,0|1,0,0]=2 12 B18R2.2431 CCCCC[C@@H](C1=COC=C1)N2CCNCC2 MCULE-4813018145 [0,0,1,0,0,0|3,0,0]=4 13 B18R2.2431 CCCCC[C@@H](C1=COC=C1)N2CCNCC2 MCULE-4822606855 [0,0,1,0,0,0|3,0,0]=4 14 B18R2.2431 CCCCC[C@@H](C1=CSC=C1)N2CCNCC2 MCULE-1405014282 [0,0,1,0,0,0|3,0,0]=4 15 B18R2.2431 CCCCC[C@@H](C1=CSC=C1)N2CCNCC2 MCULE-3181630920 [0,0,1,0,0,0|3,0,0]=4 16 B18R2.2431 CCCCC[C@H](C1=CC=CN1)N2CCNCC2 MCULE-4360252687 [0,0,1,0,0,0|2,0,0]=3 17 B18R2.2431 CCCCC[C@H](C1=CC=CN1)N2CCNCC2 MCULE-6703066498 [0,0,1,0,0,0|2,0,0]=3 18 B18R2.2431 CCCCC[C@H](C1=CC=CO1)N2CCNCC2 MCULE-8364210469 [0,0,1,0,0,0|1,1,0]=3 19 B18R2.2431 CCCCC[C@H](C1=CC=CO1)N2CCNCC2 MCULE-8869511915 [0,0,1,0,0,0|1,1,0]=3 20 B18R2.2431 CCCCC[C@H](C1=CC=CS1)N2CCNCC2 MCULE-8359129509 [0,0,1,0,0,0|1,0,0]=2 21 B18R2.2431 CCCCC[C@H](C1=CC=CS1)N2CCNCC2 MCULE-9926867173 [0,0,1,0,0,0|1,0,0]=2 22 B18R2.2431 CCCCC[C@H](C1=COC=C1)N2CCNCC2 MCULE-1185048972 [0,0,1,0,0,0|3,0,0]=4 23 B18R2.2431 CCCCC[C@H](C1=COC=C1)N2CCNCC2 MCULE-8742642158 [0,0,1,0,0,0|3,0,0]=4 24 B18R2.2431 CCCCC[C@H](C1=CSC=C1)N2CCNCC2 MCULE-3847850999 [0,0,1,0,0,0|3,0,0]=4 25 B18R2.2431 CCCCC[C@H](C1=CSC=C1)N2CCNCC2 MCULE-8097698559 [0,0,1,0,0,0|3,0,0]=4 26 B18R3.238492 C1=CSC(=C1)C2(CCCCC2)N3CCCC3 MCULE-3366182872 [0,0,0,0,1,0|0,0,0]=1 27 B20R3.2028422 C1=CC=C(C=C1)C2(CCCCC2)N3CCCCC3 MCULE-3296808520 [0,0,0,0,0,1|1,0,0]=2 28 B20R3.2028422 C1=CC=C(C=C1)C2(CCCCC2)N3CCCCC3 MCULE-6074721111 [0,0,0,0,0,1|1,0,0]=2 29 B20R3.2028422 C1=CC=C(C=C1)C2(CCCCC2)N3CCNCC3 MCULE-1783702931 [0,0,0,0,0,1|2,0,0]=3 30 B20R3.2028422 C1=CC=C(C=C1)C2(CCCCC2)N3CCNCC3 MCULE-6731435874 [0,0,0,0,0,1|2,0,0]=3 31 B17R2.42 CCCC[C@@H](C1=CC=CN1)N2CCNCC2 MCULE-4163204963 [1,0,1,0,0,0|2,0,0]=4 32 B17R2.42 CCCC[C@@H](C1=CC=CN1)N2CCNCC2 MCULE-6659665368 [1,0,1,0,0,0|2,0,0]=4 33 B17R2.42 CCCC[C@@H](C1=CC=CO1)N2CCNCC2 MCULE-5734279969 [1,0,1,0,0,0|1,1,0]=4 34 B17R2.42 CCCC[C@@H](C1=CC=CO1)N2CCNCC2 MCULE-9580027735 [1,0,1,0,0,0|1,1,0]=4 35 B17R2.42 CCCC[C@@H](C1=CC=CS1)N2CCNCC2 MCULE-2349054250 [1,0,1,0,0,0|1,0,0]=3 36 B17R2.42 CCCC[C@@H](C1=CC=CS1)N2CCNCC2 MCULE-8648844057 [1,0,1,0,0,0|1,0,0]=3 37 B17R2.42 CCCC[C@H](C1=CC=CN1)N2CCNCC2 MCULE-1236500486 [1,0,1,0,0,0|2,0,0]=4 38 B17R2.42 CCCC[C@H](C1=CC=CN1)N2CCNCC2 MCULE-6101886023 [1,0,1,0,0,0|2,0,0]=4 39 B17R2.42 CCCC[C@H](C1=CC=CO1)N2CCNCC2 MCULE-2480262224 [1,0,1,0,0,0|1,1,0]=4 40 B17R2.42 CCCC[C@H](C1=CC=CO1)N2CCNCC2 MCULE-9439788077 [1,0,1,0,0,0|1,1,0]=4 41 B17R2.42 CCCC[C@H](C1=CC=CS1)N2CCNCC2 MCULE-1005895122 [1,0,1,0,0,0|1,0,0]=3 42 B17R2.42 CCCC[C@H](C1=CC=CS1)N2CCNCC2 MCULE-1715567791 [1,0,1,0,0,0|1,0,0]=3 43 B19R2.2475 CCCCC[C@@H](C1=CC(=CS1)Br)N2CCNCC2 MCULE-5080039315 [0,1,1,0,0,0|1,0,0]=3 44 B19R2.2475 CCCCC[C@@H](C1=CC(=CS1)Br)N2CCNCC2 MCULE-5924299540 [0,1,1,0,0,0|1,0,0]=3 45 B19R2.2475 CCCCC[C@@H](C1=CC=C(O1)Br)N2CCNCC2 MCULE-3859593614 [0,1,1,0,0,0|1,1,0]=4 46 B19R2.2475 CCCCC[C@@H](C1=CC=C(O1)Br)N2CCNCC2 MCULE-8031554983 [0,1,1,0,0,0|1,1,0]=4 47 B19R2.2475 CCCCC[C@@H](C1=CC=C(O1)C)N2CCNCC2 MCULE-6729554554 [0,1,1,0,0,0|1,1,0]=4 48 B19R2.2475 CCCCC[C@@H](C1=CC=C(O1)C)N2CCNCC2 MCULE-7154704622 [0,1,1,0,0,0|1,1,0]=4 49 B19R2.2475 CCCCC[C@@H](C1=CC=C(O1)Cl)N2CCNCC2 MCULE-5657183857 [0,1,1,0,0,0|1,1,0]=4 50 B19R2.2475 CCCCC[C@@H](C1=CC=C(O1)Cl)N2CCNCC2 MCULE-7203879196 [0,1,1,0,0,0|1,1,0]=4 51 B19R2.2475 CCCCC[C@@H](C1=CC=C(S1)Br)N2CCNCC2 MCULE-3493613706 [0,1,1,0,0,0|1,0,0]=3 52 B19R2.2475 CCCCC[C@@H](C1=CC=C(S1)Br)N2CCNCC2 MCULE-8557253453 [0,1,1,0,0,0|1,0,0]=3 53 B19R2.2475 CCCCC[C@@H](C1=CC=C(S1)C)N2CCNCC2 MCULE-2243952124 [0,1,1,0,0,0|1,0,0]=3 54 B19R2.2475 CCCCC[C@@H](C1=CC=C(S1)C)N2CCNCC2 MCULE-6786526486 [0,1,1,0,0,0|1,0,0]=3 55 B19R2.2475 CCCCC[C@@H](C1=CC=C(S1)Cl)N2CCNCC2 MCULE-3106802050 [0,1,1,0,0,0|1,0,0]=3 56 B19R2.2475 CCCCC[C@@H](C1=CC=C(S1)Cl)N2CCNCC2 MCULE-5682755891 [0,1,1,0,0,0|1,0,0]=3 57 B19R2.2475 CCCCC[C@H](C1=CC(=CS1)Br)N2CCNCC2 MCULE-1633731387 [0,1,1,0,0,0|1,0,0]=3 58 B19R2.2475 CCCCC[C@H](C1=CC(=CS1)Br)N2CCNCC2 MCULE-8895549226 [0,1,1,0,0,0|1,0,0]=3 59 B19R2.2475 CCCCC[C@H](C1=CC=C(O1)Br)N2CCNCC2 MCULE-3880533167 [0,1,1,0,0,0|1,1,0]=4 60 B19R2.2475 CCCCC[C@H](C1=CC=C(O1)Br)N2CCNCC2 MCULE-8745002322 [0,1,1,0,0,0|1,1,0]=4 61 B19R2.2475 CCCCC[C@H](C1=CC=C(O1)C)N2CCNCC2 MCULE-6970660563 [0,1,1,0,0,0|1,1,0]=4 62 B19R2.2475 CCCCC[C@H](C1=CC=C(O1)C)N2CCNCC2 MCULE-7701629837 [0,1,1,0,0,0|1,1,0]=4 63 B19R2.2475 CCCCC[C@H](C1=CC=C(O1)Cl)N2CCNCC2 MCULE-2281215923 [0,1,1,0,0,0|1,1,0]=4 64 B19R2.2475 CCCCC[C@H](C1=CC=C(O1)Cl)N2CCNCC2 MCULE-7476377776 [0,1,1,0,0,0|1,1,0]=4 65 B19R2.2475 CCCCC[C@H](C1=CC=C(S1)Br)N2CCNCC2 MCULE-6707999238 [0,1,1,0,0,0|1,0,0]=3 66 B19R2.2475 CCCCC[C@H](C1=CC=C(S1)Br)N2CCNCC2 MCULE-9438329087 [0,1,1,0,0,0|1,0,0]=3 67 B19R2.2475 CCCCC[C@H](C1=CC=C(S1)C)N2CCNCC2 MCULE-1597355391 [0,1,1,0,0,0|1,0,0]=3 68 B19R2.2475 CCCCC[C@H](C1=CC=C(S1)C)N2CCNCC2 MCULE-5587202268 [0,1,1,0,0,0|1,0,0]=3 69 B19R2.2475 CCCCC[C@H](C1=CC=C(S1)Cl)N2CCNCC2 MCULE-1779317646 [0,1,1,0,0,0|1,0,0]=3 70 B19R2.2475 CCCCC[C@H](C1=CC=C(S1)Cl)N2CCNCC2 MCULE-4484639696 [0,1,1,0,0,0|1,0,0]=3 71 B19R2.13730 CCC(=O)NCC(C1=CC=CS1)N2CCCCC2 MCULE-5417087778 [0,1,1,0,0,0|1,0,1]=4 72 B19R2.16439 CCCCC[C@@H](C1=C(C=CS1)Br)N2CCNCC2 MCULE-4420885871 [0,1,1,0,0,0|1,0,0]=3 73 B19R2.16439 CCCCC[C@@H](C1=C(C=CS1)Br)N2CCNCC2 MCULE-5730713669 [0,1,1,0,0,0|1,0,0]=3 74 B19R2.16439 CCCCC[C@@H](C1=C(C=CS1)C)N2CCNCC2 MCULE-8824934339 [0,1,1,0,0,0|1,0,0]=3 75 B19R2.16439 CCCCC[C@@H](C1=C(C=CS1)C)N2CCNCC2 MCULE-9359802271 [0,1,1,0,0,0|1,0,0]=3 76 B19R2.16439 CCCCC[C@@H](C1=C(C=CS1)Cl)N2CCNCC2 MCULE-2176799181 [0,1,1,0,0,0|1,0,0]=3 77 B19R2.16439 CCCCC[C@@H](C1=C(C=CS1)Cl)N2CCNCC2 MCULE-6805058376 [0,1,1,0,0,0|1,0,0]=3 78 B19R2.16439 CCCCC[C@@H](C1=CC=CN1C)N2CCNCC2 MCULE-3129481867 [0,1,1,0,0,0|2,0,0]=4 79 B19R2.16439 CCCCC[C@@H](C1=CC=CN1C)N2CCNCC2 MCULE-7144335451 [0,1,1,0,0,0|2,0,0]=4 80 B19R2.16439 CCCCC[C@H](C1=C(C=CS1)Br)N2CCNCC2 MCULE-1032419851 [0,1,1,0,0,0|1,0,0]=3 81 B19R2.16439 CCCCC[C@H](C1=C(C=CS1)Br)N2CCNCC2 MCULE-9850526622 [0,1,1,0,0,0|1,0,0]=3 82 B19R2.16439 CCCCC[C@H](C1=C(C=CS1)C)N2CCNCC2 MCULE-3621522042 [0,1,1,0,0,0|1,0,0]=3 83 B19R2.16439 CCCCC[C@H](C1=C(C=CS1)C)N2CCNCC2 MCULE-7898590145 [0,1,1,0,0,0|1,0,0]=3 84 B19R2.16439 CCCCC[C@H](C1=C(C=CS1)Cl)N2CCNCC2 MCULE-3589236182 [0,1,1,0,0,0|1,0,0]=3 85 B19R2.16439 CCCCC[C@H](C1=C(C=CS1)Cl)N2CCNCC2 MCULE-6234024910 [0,1,1,0,0,0|1,0,0]=3 86 B19R2.16439 CCCCC[C@H](C1=CC=CN1C)N2CCNCC2 MCULE-3698523625 [0,1,1,0,0,0|2,0,0]=4 87 B19R2.16439 CCCCC[C@H](C1=CC=CN1C)N2CCNCC2 MCULE-7766920734 [0,1,1,0,0,0|2,0,0]=4 88 B21R3.649619 CC1=CC=C(C=C1)C2(CCCCC2)N3CCCCC3 MCULE-1492999790 [0,1,0,0,0,1|1,0,0]=3 89 B21R3.649619 CC1=CC=C(C=C1)C2(CCCCC2)N3CCCCC3 MCULE-2814346474 [0,1,0,0,0,1|1,0,0]=3 90 B21R3.649619 OC1CCN(CC1)C2(CCCCC2)C3=CC=CC=C3 MCULE-6223658303 [0,1,0,0,0,1|1,0,0]=3 91 B21R3.3818798 ClC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3 MCULE-6569575895 [0,1,0,0,0,1|1,0,0]=3 92 B21R3.3818798 ClC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3 MCULE-9994467290 [0,1,0,0,0,1|1,0,0]=3 93 B21R3.3818798 FC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3 MCULE-1957761898 [0,1,0,0,0,1|1,0,0]=3 94 B21R3.3818798 FC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3 MCULE-2351529281 [0,1,0,0,0,1|1,0,0]=3 95 B21R3.3818798 NC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3 MCULE-2353511610 [0,1,0,0,0,1|1,0,0]=3 96 B21R3.3818798 NC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3 MCULE-5413963472 [0,1,0,0,0,1|1,0,0]=3 97 B21R3.3818798 NC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3 MCULE-7078387026 [0,1,0,0,0,1|1,0,0]=3 98 B21R3.3818798 OC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3 MCULE-3666577951 [0,1,0,0,0,1|1,0,0]=3 99 B21R3.3818798 OC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3 MCULE-4134461078 [0,1,0,0,0,1|1,0,0]=3 100 B19R3.19318 C1=CNC(=C1)[C@@H](C2CCCC2)N3CCNCC3 MCULE-6790782809 [0,0,1,1,0,0|2,0,0]=4 101 B19R3.19318 C1=CNC(=C1)[C@@H](C2CCCC2)N3CCNCC3 MCULE-9469657264 [0,0,1,1,0,0|2,0,0]=4 102 B19R3.19318 C1=CNC(=C1)[C@H](C2CCCC2)N3CCNCC3 MCULE-4622636117 [0,0,1,1,0,0|2,0,0]=4 103 B19R3.19318 C1=CNC(=C1)[C@H](C2CCCC2)N3CCNCC3 MCULE-8586888353 [0,0,1,1,0,0|2,0,0]=4 104 B19R3.19318 C1=COC(=C1)[C@@H](C2CCCC2)N3CCNCC3 MCULE-3581864530 [0,0,1,1,0,0|1,1,0]=4 105 B19R3.19318 C1=COC(=C1)[C@@H](C2CCCC2)N3CCNCC3 MCULE-4111348924 [0,0,1,1,0,0|1,1,0]=4 106 B19R3.19318 C1=COC(=C1)[C@H](C2CCCC2)N3CCNCC3 MCULE-6380946564 [0,0,1,1,0,0|1,1,0]=4 107 B19R3.19318 C1=COC(=C1)[C@H](C2CCCC2)N3CCNCC3 MCULE-8207023970 [0,0,1,1,0,0|1,1,0]=4 108 B19R3.19318 C1=CSC(=C1)[C@@H](C2CCCC2)N3CCNCC3 MCULE-3250789432 [0,0,1,1,0,0|1,0,0]=3 109 B19R3.19318 C1=CSC(=C1)[C@@H](C2CCCC2)N3CCNCC3 MCULE-7681045505 [0,0,1,1,0,0|1,0,0]=3 110 B19R3.19318 C1=CSC(=C1)[C@H](C2CCCC2)N3CCNCC3 MCULE-4224815809 [0,0,1,1,0,0|1,0,0]=3 111 B19R3.19318 C1=CSC(=C1)[C@H](C2CCCC2)N3CCNCC3 MCULE-8039959313 [0,0,1,1,0,0|1,0,0]=3 112 B19R2.2474 CCCCC[C@@H](C1=CC=CC=C1)N2CCNCC2 MCULE-1688387203 [0,0,1,0,0,1|2,0,0]=4 113 B19R2.2474 CCCCC[C@@H](C1=CC=CC=C1)N2CCNCC2 MCULE-8406349287 [0,0,1,0,0,1|2,0,0]=4 114 B19R2.2474 CCCCC[C@@H](C1=CC=CN=C1)N2CCNCC2 MCULE-3687233164 [0,0,1,0,0,1|2,0,0]=4 115 B19R2.2474 CCCCC[C@@H](C1=CC=CN=C1)N2CCNCC2 MCULE-6141328805 [0,0,1,0,0,1|2,0,0]=4 116 B19R2.2474 CCCCC[C@@H](C1=CC=NC=C1)N2CCNCC2 MCULE-6434641167 [0,0,1,0,0,1|2,0,0]=4 117 B19R2.2474 CCCCC[C@@H](C1=CC=NC=C1)N2CCNCC2 MCULE-8698647285 [0,0,1,0,0,1|2,0,0]=4 118 B19R2.2474 CCCCC[C@@H](C1=NC=CC=C1)N2CCNCC2 MCULE-6702694240 [0,0,1,0,0,1|2,0,0]=4 119 B19R2.2474 CCCCC[C@@H](C1=NC=CC=C1)N2CCNCC2 MCULE-8766756959 [0,0,1,0,0,1|2,0,0]=4 120 B19R2.2474 CCCCC[C@H](C1=CC=CC=C1)N2CCNCC2 MCULE-5252418054 [0,0,1,0,0,1|2,0,0]=4 121 B19R2.2474 CCCCC[C@H](C1=CC=CC=C1)N2CCNCC2 MCULE-8972411764 [0,0,1,0,0,1|2,0,0]=4 122 B19R2.2474 CCCCC[C@H](C1=CC=CN=C1)N2CCNCC2 MCULE-2538346813 [0,0,1,0,0,1|2,0,0]=4 123 B19R2.2474 CCCCC[C@H](C1=CC=CN=C1)N2CCNCC2 MCULE-8740153143 [0,0,1,0,0,1|2,0,0]=4 124 B19R2.2474 CCCCC[C@H](C1=CC=NC=C1)N2CCNCC2 MCULE-2853545967 [0,0,1,0,0,1|2,0,0]=4 125 B19R2.2474 CCCCC[C@H](C1=CC=NC=C1)N2CCNCC2 MCULE-3076524015 [0,0,1,0,0,1|2,0,0]=4 126 B19R2.2474 CCCCC[C@H](C1=NC=CC=C1)N2CCNCC2 MCULE-2052558958 [0,0,1,0,0,1|2,0,0]=4 127 B19R2.2474 CCCCC[C@H](C1=NC=CC=C1)N2CCNCC2 MCULE-4584527011 [0,0,1,0,0,1|2,0,0]=4 128 B21R3.901276 C1=CC=C(C=C1)C2(CCCCCC2)N3CCCCC3 MCULE-3796981813 [0,0,0,0,0,2|1,0,0]=3 129 B21R3.901276 C1=CC=C(C=C1)C2(CCCCCC2)N3CCCCC3 MCULE-5016293265 [0,0,0,0,0,2|1,0,0]=3