0 B13R2.16542 CC1(C2CCC1(C(=O)C2=O)C)C Molport-002-506-800 [0,0,0,0,0,0|1,0,1]=2 1 B13R2.16542 CC1(C2CCC1(C(C2S)O)C)C Molport-019-781-747 [0,0,0,0,0,0|1,0,2]=3 2 B13R2.16542 CC1([C@@H]2CCC1(C(=O)C2=O)C)C Molport-002-507-339 [0,0,0,0,0,0|1,0,1]=2 3 B13R2.16542 CC1([C@@H]2CC[C@]1(C(=O)C2=O)C)C Molport-003-907-940 [0,0,0,0,0,0|1,0,1]=2 4 B13R2.16542 CC1([C@@H]2CC[C@]1([C@@H]([C@@H]2N)O)C)C Molport-053-110-523 [0,0,0,0,0,0|1,0,2]=3 5 B13R2.16542 CC1([C@@H]2CC[C@]1([C@@H]([C@@H]2O)O)C)C Molport-023-278-739 [0,0,0,0,0,0|1,0,2]=3 6 B13R2.16542 CC1([C@H]2CC[C@@]1(C(=O)C2=O)C)C Molport-003-928-917 [0,0,0,0,0,0|1,0,1]=2 7 B13R2.16542 CC1([C@H]2CC[C@@]1([C@H]([C@H]2O)O)C)C Molport-051-974-177 [0,0,0,0,0,0|1,0,2]=3 8 B13R2.16542 CC1([C@H]2CC[C@]1(C(=O)C2=O)C)C Molport-051-928-302 [0,0,0,0,0,0|1,0,1]=2 9 B13R2.16542 CC1([C@H]2CC[C@]1([C@@H]([C@@H]2O)O)C)C Molport-051-929-715 [0,0,0,0,0,0|1,0,2]=3 10 B12R2.508 CC1(C2CCC1C(C2O)O)C Molport-002-915-249 [1,0,0,0,0,0|1,0,2]=4 11 B12R2.2786 CC1(C2CCC1(C(=C)C2)C)C Molport-000-734-916 [1,0,0,0,0,0|1,0,0]=2 12 B12R2.2786 CC1(C2CCC1(C(=N)C2)C)C Molport-002-516-362 [1,0,0,0,0,0|1,0,0]=2 13 B12R2.2786 CC1(C2CCC1(C(=O)C2)C)C Molport-002-506-944 [1,0,0,0,0,0|0,0,0]=1 14 B12R2.2786 CC1(C2CCC1(C(=O)C2)N)C Molport-044-422-594 [1,0,0,0,0,0|1,0,0]=2 15 B12R2.2786 CC1(C2CCC1(C(=O)C2)N)C Molport-046-647-483 [1,0,0,0,0,0|1,0,0]=2 16 B12R2.2786 CC1(C2CCC1(C(C2)N)C)C Molport-000-145-462 [1,0,0,0,0,0|1,0,1]=3 17 B12R2.2786 CC1(C2CCC1(C(C2)N)C)C Molport-002-893-207 [1,0,0,0,0,0|1,0,1]=3 18 B12R2.2786 CC1(C2CCC1(C(C2)O)C)C Molport-000-710-471 [1,0,0,0,0,0|0,0,2]=3 19 B12R2.2786 CC1(C2CCC1([C@@H](C2)O)C)C Molport-002-506-896 [1,0,0,0,0,0|0,0,2]=3 20 B12R2.2786 CC1(C2CCC1([C@H](C2)O)C)C Molport-046-851-694 [1,0,0,0,0,0|0,0,2]=3 21 B12R2.2786 CC1(C2CC[C@@]1(C(=O)C2)C)C Molport-003-698-691 [1,0,0,0,0,0|0,0,0]=1 22 B12R2.2786 CC1(C2CC[C@]1(C(=O)C2)C)C Molport-001-763-960 [1,0,0,0,0,0|0,0,0]=1 23 B12R2.2786 CC1(C2CC[C@]1(C(C2)O)C)C Molport-038-942-572 [1,0,0,0,0,0|0,0,2]=3 24 B12R2.2786 CC1([C@@H]2CC[C@@]1(C(=O)C2)C)C Molport-003-666-054 [1,0,0,0,0,0|0,0,0]=1 25 B12R2.2786 CC1([C@@H]2CC[C@@]1([C@@H](C2)O)C)C Molport-051-929-117 [1,0,0,0,0,0|0,0,2]=3 26 B12R2.2786 CC1([C@@H]2CC[C@]1(C(=O)C2)C)C Molport-001-793-333 [1,0,0,0,0,0|0,0,0]=1 27 B12R2.2786 CC1([C@@H]2CC[C@]1(C(C2)N)C)C Molport-039-333-461 [1,0,0,0,0,0|1,0,1]=3 28 B12R2.2786 CC1([C@@H]2CC[C@]1([C@@H](C2)N)C)C Molport-003-664-204 [1,0,0,0,0,0|1,0,1]=3 29 B12R2.2786 CC1([C@@H]2CC[C@]1([C@@H](C2)O)C)C Molport-001-791-165 [1,0,0,0,0,0|0,0,2]=3 30 B12R2.2786 CC1([C@@H]2CC[C@]1([C@H](C2)N)C)C Molport-029-945-642 [1,0,0,0,0,0|1,0,1]=3 31 B12R2.2786 CC1([C@@H]2CC[C@]1([C@H](C2)O)C)C Molport-003-926-877 [1,0,0,0,0,0|0,0,2]=3 32 B12R2.2786 CC1([C@H]2CC[C@@]1(C(=O)C2)C)C Molport-001-793-706 [1,0,0,0,0,0|0,0,0]=1 33 B12R2.2786 CC1([C@H]2CC[C@@]1(C(C2)O)C)C Molport-004-784-517 [1,0,0,0,0,0|0,0,2]=3 34 B12R2.2786 CC1([C@H]2CC[C@@]1([C@@H](C2)O)C)C Molport-001-791-166 [1,0,0,0,0,0|0,0,2]=3 35 B12R2.2786 CC1([C@H]2CC[C@@]1([C@H](C2)O)C)C Molport-006-110-792 [1,0,0,0,0,0|0,0,2]=3 36 B12R2.2786 CC1([C@H]2CC[C@]1([C@H](C2)N)C)C Molport-051-929-718 [1,0,0,0,0,0|1,0,1]=3 37 B14R2.18552 CC1(C\2CC[C@]1(C(=O)/C2=N/O)C)C Molport-051-570-784 [0,1,0,0,0,0|1,0,1]=3 38 B14R2.18552 CC1([C@@H]2CC[C@@]1(C(=O)C2=NO)C)C Molport-051-929-707 [0,1,0,0,0,0|1,0,1]=3 39 B14R2.18552 CC1([C@@H]\2CC[C@]1(C(=O)/C2=N/O)C)C Molport-046-593-506 [0,1,0,0,0,0|1,0,1]=3 40 B14R2.18552 CC1([C@@H]\2CC[C@]1(C(=O)/C2=N\O)C)C Molport-003-927-870 [0,1,0,0,0,0|1,0,1]=3 41 B14R2.18552 CC1([C@H]\2CC[C@@]1(C(=O)/C2=N/O)C)C Molport-023-278-263 [0,1,0,0,0,0|1,0,1]=3 42 B14R2.18552 CC1([C@H]\2CC[C@@]1(C(=O)/C2=N\O)C)C Molport-003-928-930 [0,1,0,0,0,0|1,0,1]=3 43 B14R2.18552 CSC1C(C2(CCC1C2(C)C)C)O Molport-039-099-274 [0,1,0,0,0,0|1,0,2]=4 44 B14R2.69067 CC1(C2(CCC1(C(=O)C2=O)C)C)C Molport-000-252-842 [0,1,0,0,0,0|1,0,1]=3 45 B12R1.3446 COC(=O)C1(CCCC1(C)C)N Molport-025-931-483 [0,0,1,0,0,0|3,0,0]=4 46 B14R2.27718 CC1(C2CCC1(C(=O)CC2=O)C)C Molport-035-929-917 [0,0,0,0,0,1|1,0,1]=3 47 B14R2.27718 CC1(C2CCC1(C(=O)NC2=O)C)C Molport-000-208-145 [0,0,0,0,0,1|1,0,1]=3 48 B14R2.27718 CC1(C2CCC1(C(=O)OC2=O)C)C Molport-001-763-796 [0,0,0,0,0,1|1,0,1]=3 49 B14R2.27718 CC1([C@@H]2CC[C@]1(C(=O)OC2=O)C)C Molport-029-657-440 [0,0,0,0,0,1|1,0,1]=3 50 B14R2.27718 CC1([C@H]2CC[C@@]1(C(=O)OC2=O)C)C Molport-047-107-094 [0,0,0,0,0,1|1,0,1]=3 51 B11R1.21 CC(C)C1CCC(C(=O)C1)C Molport-005-939-961 [1,0,1,0,0,0|0,0,0]=2 52 B11R1.21 CC(C)C1CCC(C(C1)N)C Molport-006-710-095 [1,0,1,0,0,0|1,0,1]=4 53 B11R1.21 CC(C)C1CCC(C(C1)O)C Molport-003-659-868 [1,0,1,0,0,0|0,0,2]=4 54 B11R1.21 CC1CCC(CC1=O)C(=C)C Molport-001-791-999 [1,0,1,0,0,0|0,0,2]=4 55 B11R1.21 C[C@@H]1CC[C@H](CC1=O)C(=C)C Molport-006-116-972 [1,0,1,0,0,0|0,0,2]=4 56 B11R1.21 C[C@H]1CC[C@@H](CC1=O)C(=C)C Molport-005-909-364 [1,0,1,0,0,0|0,0,2]=4 57 B11R1.166 CC(C)C1CCC(CC1N)C Molport-002-893-263 [1,0,1,0,0,0|1,0,1]=4 58 B11R1.166 CC(C)C1CCC(CC1N)C Molport-004-297-452 [1,0,1,0,0,0|1,0,1]=4 59 B11R1.166 CC(C)C1CCC(CC1O)C Molport-000-849-729 [1,0,1,0,0,0|1,0,1]=4 60 B11R1.166 CC(C)C1CCC(CC1O)C Molport-051-853-313 [1,0,1,0,0,0|1,0,1]=4 61 B11R1.166 CC(C)C1CCC(C[C@H]1O)C Molport-051-508-671 [1,0,1,0,0,0|1,0,1]=4 62 B11R1.166 CC(C)[C@@H]1CCC(CC1O)C Molport-003-960-022 [1,0,1,0,0,0|1,0,1]=4 63 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@@H]1N)C Molport-006-705-535 [1,0,1,0,0,0|1,0,1]=4 64 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@@H]1O)C Molport-003-928-323 [1,0,1,0,0,0|1,0,1]=4 65 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1N)C Molport-001-794-117 [1,0,1,0,0,0|1,0,1]=4 66 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1N)C Molport-044-622-793 [1,0,1,0,0,0|1,0,1]=4 67 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1O)C Molport-001-793-392 [1,0,1,0,0,0|1,0,1]=4 68 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1O)C Molport-051-972-305 [1,0,1,0,0,0|1,0,1]=4 69 B11R1.166 CC(C)[C@H]1CC[C@@H](C[C@@H]1N)C Molport-042-621-450 [1,0,1,0,0,0|1,0,1]=4 70 B11R1.166 CC(C)[C@H]1CC[C@@H](C[C@@H]1O)C Molport-003-928-097 [1,0,1,0,0,0|1,0,1]=4 71 B11R1.166 CC(C)[C@H]1CC[C@H](C[C@@H]1O)C Molport-001-793-331 [1,0,1,0,0,0|1,0,1]=4 72 B11R1.166 CC(C)[C@H]1CC[C@H](C[C@H]1N)C Molport-051-778-773 [1,0,1,0,0,0|1,0,1]=4 73 B11R1.166 CC(C)[C@H]1CC[C@H](C[C@H]1O)C Molport-002-524-100 [1,0,1,0,0,0|1,0,1]=4 74 B11R1.1386 CC1(CCCC1(N)C(=O)O)C Molport-027-631-927 [1,0,1,0,0,0|2,0,0]=4 75 B11R1.1191 C[C@H]1CC[C@@](C1(C)C)(C)CN Molport-042-623-198 [1,0,1,0,0,0|1,0,1]=4 76 B11R1.1191 C[C@H]1CC[C@@](C1(C)C)(C)CO Molport-035-930-595 [1,0,1,0,0,0|0,0,2]=4 77 B11R2.732 CC1(C2CCC1C(C2)N)C Molport-051-934-593 [2,0,0,0,0,0|1,0,1]=4 78 B11R2.732 CC1([C@H]2CC[C@@H]1C(C2)N)C Molport-042-678-373 [2,0,0,0,0,0|1,0,1]=4 79 B11R2.2357 CC1(C2CCC1(CC2)N)C Molport-046-024-174 [2,0,0,0,0,0|1,0,1]=4 80 B11R2.2357 CC1([C@H]2CC[C@@]1(C=C2)C)C Molport-039-242-498 [2,0,0,0,0,0|0,0,1]=3 81 B13R1.11825 CC1(C(CCC1(C)C(=O)O)C#N)C Molport-003-749-322 [0,1,1,0,0,0|1,0,1]=4 82 B13R2.6173 CC1(C2CCC1(/C(=N/O)/C2)C)C Molport-000-141-939 [1,1,0,0,0,0|0,0,1]=3 83 B13R2.6173 CC1(C2CCC1(/C(=N\O)/C2)C)C Molport-000-422-001 [1,1,0,0,0,0|0,0,1]=3 84 B13R2.6173 CC1(C2CCC1(C(=NO)C2)C)C Molport-003-179-115 [1,1,0,0,0,0|0,0,1]=3 85 B13R2.6173 CC1(C2CCC1(C(C2)NN)C)C Molport-035-748-660 [1,1,0,0,0,0|1,0,1]=4 86 B13R2.6173 CC1([C@@H]2CC[C@]1(/C(=N/O)/C2)C)C Molport-003-927-873 [1,1,0,0,0,0|0,0,1]=3 87 B13R2.6173 CC1([C@@H]2CC[C@]1(C(=NO)C2)C)C Molport-044-724-406 [1,1,0,0,0,0|0,0,1]=3 88 B13R2.11579 CC1([C@@H]2CC[C@]1([C@](C2)(C)O)C)C Molport-028-615-660 [1,1,0,0,0,0|0,0,2]=4 89 B13R2.16844 CC1(C2CCC1(C(=O)C2)C#N)C Molport-006-734-638 [1,1,0,0,0,0|0,0,1]=3 90 B13R2.16844 CC1(C2CCC1(C(C2)O)CS)C Molport-000-860-958 [1,1,0,0,0,0|0,0,2]=4 91 B13R2.16844 CC1(C2CC[C@]1(C(C2)O)CS)C Molport-028-751-100 [1,1,0,0,0,0|0,0,2]=4 92 B13R2.16844 CC1([C@@H]2CC[C@]1([C@@H](C2)O)CS)C Molport-029-945-681 [1,1,0,0,0,0|0,0,2]=4 93 B13R2.16844 CC1([C@@H]2CC[C@]1([C@H](C2)O)CS)C Molport-035-785-239 [1,1,0,0,0,0|0,0,2]=4 94 B13R2.16844 CC1([C@H]2CC[C@]1([C@@H](C2)O)CS)C Molport-051-929-716 [1,1,0,0,0,0|0,0,2]=4 95 B13R2.18788 CC1(C2CCC1(C(=O)C2)C)CO Molport-047-413-336 [1,1,0,0,0,0|0,0,0]=2 96 B13R2.22580 CC1(C2(CCC1(CC2=O)N)C)C Molport-003-749-348 [1,1,0,0,0,0|0,0,0]=2 97 B13R2.22580 CC12CCC(C1(C)C)(C(=O)C2)C Molport-000-252-840 [1,1,0,0,0,0|0,0,0]=2 98 B15R2.83788 COC1=CC(=O)C2(CCC1C2(C)C)C Molport-003-660-018 [0,1,0,0,0,1|1,0,1]=4 99 B15R2.233343 CN1C(=O)C2CCC(C1=O)(C2(C)C)C Molport-051-937-759 [0,1,0,0,0,1|1,0,1]=4 100 B15R2.53332 CO/N=C/1\C2CCC(C1=O)(C2(C)C)C Molport-051-525-074 [0,2,0,0,0,0|1,0,1]=4 101 B15R2.143041 C/[N+](=C\1/C2CCC(C1=O)(C2(C)C)C)/[O-] Molport-000-510-286 [0,2,0,0,0,0|1,0,1]=4 102 B15R2.143041 CC1(C2CCC1(C(=O)C2C(=O)O)C)C Molport-001-834-226 [0,2,0,0,0,0|1,0,0]=3 103 B15R2.143041 CC1([C@H]2CC[C@@]1(C(=O)C2[N+](=O)[O-])C)C Molport-051-937-940 [0,2,0,0,0,0|1,0,0]=3 104 B13R2.11657 CC1(C2CCC1(C(=O)NC2)C)C Molport-003-659-775 [0,0,1,1,0,0|2,0,0]=4 105 B13R3.23441 CC12CC3C1CCC2(C3=O)C Molport-000-451-610 [1,0,0,1,0,0|0,0,0]=2 106 B11R2.1734 CC1([C@@H]2CC[C@]1(C2N)C)C Molport-047-771-072 [1,0,0,0,1,0|1,0,1]=4 107 B13R2.10768 CC1(NC2(CCC1CC2=O)C)C Molport-002-136-233 [1,0,0,0,0,1|0,0,0]=2 108 B13R2.10768 CC1(OC2(CC[C@@H]1C[C@@H]2O)C)C Molport-039-052-570 [1,0,0,0,0,1|0,0,2]=4 109 B13R2.10768 CC1(O[C@]2(CC[C@@H]1C[C@@H]2O)C)C Molport-044-723-275 [1,0,0,0,0,1|0,0,2]=4 110 B15R2.147363 CC1(OC2(CCC1C(=O)OC2=O)C)C Molport-002-862-711 [0,0,0,0,0,2|1,0,1]=4