0 B12R2.509 CC1(C2CCC(C2)(C1=O)C)C Molport-002-536-693 [0,0,0,0,0,0|0,0,0]=0 1 B12R2.509 CC1(C2CCC(C2)(C1N)C)C Molport-000-145-692 [0,0,0,0,0,0|1,0,1]=2 2 B12R2.509 CC1(C2CCC(C2)(C1O)C)C Molport-000-734-732 [0,0,0,0,0,0|0,0,2]=2 3 B12R2.509 CC1(C2CC[C@](C2)(C1O)C)C Molport-051-570-833 [0,0,0,0,0,0|0,0,2]=2 4 B12R2.509 CC1([C@@H]2CC[C@@](C2)(C1=C)C)C Molport-003-940-703 [0,0,0,0,0,0|1,0,0]=1 5 B12R2.509 CC1([C@@H]2CC[C@@](C2)(C1=O)C)C Molport-002-506-989 [0,0,0,0,0,0|0,0,0]=0 6 B12R2.509 CC1([C@@H]2CC[C@@](C2)([C@@H]1O)C)C Molport-002-506-889 [0,0,0,0,0,0|0,0,2]=2 7 B12R2.509 CC1([C@H]2CCC(C2)([C@H]1O)C)C Molport-019-949-552 [0,0,0,0,0,0|0,0,2]=2 8 B12R2.509 CC1([C@H]2CC[C@](C2)(C1=O)C)C Molport-001-793-341 [0,0,0,0,0,0|0,0,0]=0 9 B12R2.509 CC1([C@H]2CC[C@](C2)([C@H]1O)C)C Molport-003-927-521 [0,0,0,0,0,0|0,0,2]=2 10 B11R2.204 CC1(C2CCC(C2)C1=C)C Molport-001-785-795 [1,0,0,0,0,0|1,0,0]=2 11 B11R2.204 CC1(C2CCC(C2)C1=O)C Molport-006-120-170 [1,0,0,0,0,0|0,0,0]=1 12 B11R2.204 CC1(C2CCC(C2)C1N)C Molport-044-856-266 [1,0,0,0,0,0|1,0,1]=3 13 B11R2.204 CC1([C@@H]2CC[C@@H](C2)C1=C)C Molport-029-945-621 [1,0,0,0,0,0|1,0,0]=2 14 B11R2.204 FC1(C2CCC(C2)C1=O)F Molport-047-800-934 [1,0,0,0,0,0|2,0,0]=3 15 B13R2.2794 CC1\2CCC(C1)C(/C2=N/O)(C)C Molport-001-020-710 [0,1,0,0,0,0|0,0,1]=2 16 B13R2.2794 CC1\2CCC(C1)C(/C2=N\O)(C)C Molport-003-700-261 [0,1,0,0,0,0|0,0,1]=2 17 B13R2.2794 C[C@@]1\2CCC(C1)C(/C2=N\O)(C)C Molport-002-914-859 [0,1,0,0,0,0|0,0,1]=2 18 B13R2.2794 C[C@]12CC[C@H](C1)C(C2=NO)(C)C Molport-047-353-158 [0,1,0,0,0,0|0,0,1]=2 19 B13R2.2794 C[C@]1\2CC[C@H](C1)C(/C2=N\O)(C)C Molport-047-310-443 [0,1,0,0,0,0|0,0,1]=2 20 B13R2.21280 CC1([C@@H]2CC[C@@](C2)([C@@]1(C)O)C)C Molport-047-942-992 [0,1,0,0,0,0|0,0,2]=3 21 B11R1.492 CC1(CC(C(N1O)(C)C)O)C Molport-044-426-408 [0,0,1,0,0,0|2,0,1]=4 22 B11R1.1322 CC1(CCCC(C1=O)(C)C)C Molport-000-881-813 [0,0,1,0,0,0|0,0,0]=1 23 B11R1.1322 CC1(CCCC(C1N)(C)C)C Molport-046-688-041 [0,0,1,0,0,0|1,0,1]=3 24 B11R1.1322 CC1(CCCC(C1O)(C)C)C Molport-047-638-905 [0,0,1,0,0,0|0,0,2]=3 25 B10R1.540 CC1(CCC(C1=O)(C)C)C Molport-042-683-828 [1,0,1,0,0,0|0,0,0]=2 26 B10R1.540 CC1(CCC(C1N)(C)C)C Molport-046-676-384 [1,0,1,0,0,0|1,0,1]=4 27 B10R1.540 CC1(CCC(C1O)(C)C)C Molport-047-776-424 [1,0,1,0,0,0|0,0,2]=4 28 B10R1.560 CC1(CC(C(C1)(C)C)N)C Molport-039-136-890 [1,0,1,0,0,0|1,0,1]=4 29 B10R1.560 CC1(CC(C(N1)(C)C)O)C Molport-051-779-640 [1,0,1,0,0,0|2,0,0]=4 30 B10R1.560 CC1(CC(C(O1)(C)C)N)C Molport-027-633-205 [1,0,1,0,0,0|2,0,0]=4 31 B10R1.560 CC1(CC(C(O1)(C)C)N)C Molport-029-998-175 [1,0,1,0,0,0|2,0,0]=4 32 B10R1.560 CC1(CC(C(O1)(C)C)O)C Molport-026-529-105 [1,0,1,0,0,0|2,0,0]=4 33 B10R1.560 CC1(C[C@@H](C(C1)(C)C)N)C Molport-047-977-360 [1,0,1,0,0,0|1,0,1]=4 34 B10R1.114 CC1(C(=O)CCCC1=O)C Molport-019-905-038 [1,0,1,0,0,0|1,0,1]=4 35 B10R1.114 CC1([C@H](CCCC1=O)O)C Molport-028-749-861 [1,0,1,0,0,0|1,0,0]=3 36 B10R1.119 CC1CCC(C(=O)C1C)C Molport-044-729-560 [1,0,1,0,0,0|0,0,0]=2 37 B10R1.301 CC1(CCCC(C1=O)F)C Molport-047-932-287 [1,0,1,0,0,0|1,0,0]=3 38 B10R1.301 CC1CCCC(C1=O)(C)C Molport-003-939-731 [1,0,1,0,0,0|0,0,0]=2 39 B10R1.301 C[C@H]1CCCC(C1=O)(C)C Molport-051-570-701 [1,0,1,0,0,0|0,0,0]=2 40 B10R1.220 CC1(CCC(C1=O)C#N)C Molport-029-879-076 [1,0,1,0,0,0|1,0,1]=4 41 B10R1.236 CN1CCC(C1=O)(C)CO Molport-044-195-967 [1,0,1,0,0,0|2,0,0]=4 42 B10R1.238 CC1(CCC(O1)(C)CO)C Molport-047-582-000 [1,0,1,0,0,0|2,0,0]=4 43 B10R1.23 CC(C)C(=O)C1CCCN1 Molport-046-510-042 [1,0,1,0,0,0|1,0,0]=3 44 B10R1.370 CC(C)CC1(CCCC1)O Molport-011-892-495 [1,0,1,0,0,0|1,0,1]=4 45 B10R1.370 CC(C)CC1(CCCN1)C Molport-025-096-860 [1,0,1,0,0,0|1,0,1]=4 46 B10R1.411 CC1(CCCC1)C(=O)CN Molport-044-195-749 [1,0,1,0,0,0|1,0,0]=3 47 B10R1.411 CCC(=O)C1(CCCC1)N Molport-046-700-853 [1,0,1,0,0,0|1,0,0]=3 48 B10R1.411 CNC(=O)C1(CCNC1)C Molport-014-685-710 [1,0,1,0,0,0|2,0,0]=4 49 B10R1.411 COC(=O)C1(CCCC1)C Molport-023-274-153 [1,0,1,0,0,0|1,0,0]=3 50 B10R1.411 COC(=O)C1(CCCC1)N Molport-000-004-536 [1,0,1,0,0,0|2,0,0]=4 51 B10R1.411 COC(=O)C1(CCCC1)N Molport-000-140-614 [1,0,1,0,0,0|2,0,0]=4 52 B10R1.411 COC(=O)C1(CCCC1)O Molport-012-621-694 [1,0,1,0,0,0|2,0,0]=4 53 B10R1.411 COC(=O)C1(CCCN1)C Molport-027-839-246 [1,0,1,0,0,0|2,0,0]=4 54 B10R1.411 COC(=O)C1(CCCO1)C Molport-027-632-506 [1,0,1,0,0,0|2,0,0]=4 55 B10R1.411 COC(=O)C1(CCNC1)C Molport-014-693-662 [1,0,1,0,0,0|2,0,0]=4 56 B10R1.411 COC(=O)C1(CCNC1)C Molport-039-063-234 [1,0,1,0,0,0|2,0,0]=4 57 B10R1.411 COC(=O)C1(CCOC1)C Molport-035-942-270 [1,0,1,0,0,0|2,0,0]=4 58 B10R1.411 COC(=O)[C@@]1(CCCN1)C Molport-030-005-236 [1,0,1,0,0,0|2,0,0]=4 59 B10R1.411 COC(=O)[C@@]1(CCCO1)C Molport-047-977-246 [1,0,1,0,0,0|2,0,0]=4 60 B10R1.411 COC(=O)[C@@]1(CCNC1)C Molport-051-761-543 [1,0,1,0,0,0|2,0,0]=4 61 B10R1.411 COC(=O)[C@]1(CCCN1)C Molport-035-385-681 [1,0,1,0,0,0|2,0,0]=4 62 B10R1.411 COC(=O)[C@]1(CCCN1)C Molport-035-942-754 [1,0,1,0,0,0|2,0,0]=4 63 B10R1.411 COC(=O)[C@]1(CCOC1)C Molport-047-977-064 [1,0,1,0,0,0|2,0,0]=4 64 B10R1.307 CC1(CCCC(C1)(C)N)C Molport-047-110-337 [1,0,1,0,0,0|1,0,1]=4 65 B10R1.307 CC1(CCCC(C1)(C)O)C Molport-021-225-098 [1,0,1,0,0,0|1,0,1]=4 66 B10R2.25 C=C1C2CCC(C2)C1=O Molport-003-958-745 [2,0,0,0,0,0|0,0,2]=4 67 B10R2.25 C=C1[C@@H]2CC[C@@H](C2)C1=O Molport-039-337-481 [2,0,0,0,0,0|0,0,2]=4 68 B10R2.25 CC1=C(C2CCC1C2)C Molport-047-971-789 [2,0,0,0,0,0|1,0,1]=4 69 B10R2.28 CC1(CC2CCC1C2)O Molport-001-764-888 [2,0,0,0,0,0|1,0,1]=4 70 B10R2.19 CC12CCC(C1)CC2N Molport-016-583-498 [2,0,0,0,0,0|1,0,1]=4 71 B10R2.19 CC12CCN(C1)CC2=O Molport-044-435-955 [2,0,0,0,0,0|1,0,0]=3 72 B12R1.3856 CC(C)(O)C1CCC(O1)(C)C=C Molport-004-964-112 [0,1,1,0,0,0|2,0,0]=4 73 B12R1.3844 CC(C)C(N)C1(CCCC1)CO Molport-039-240-751 [0,1,1,0,0,0|1,0,1]=4 74 B12R1.2514 CC1(CCCC(C1CO)(C)C)C Molport-047-459-856 [0,1,1,0,0,0|0,0,2]=4 75 B12R2.2264 CC1(C(C2CCC1C2)CN)C Molport-004-784-505 [1,1,0,0,0,0|1,0,1]=4 76 B12R2.2264 CC1(C(C2CCC1C2)CN)C Molport-047-782-795 [1,1,0,0,0,0|1,0,1]=4 77 B12R2.1152 CC1(CC2(CC1CC2=O)C)C Molport-023-333-520 [1,1,0,0,0,0|0,0,2]=4 78 B12R2.7207 CC1(OC2(CCC1C2)CN)C Molport-047-639-389 [1,1,0,0,0,0|1,0,0]=3 79 B12R2.7207 CC1(OC2(CCC1C2)CO)C Molport-047-641-494 [1,1,0,0,0,0|1,0,0]=3 80 B14R2.13968 CC1(C2CCC(C2)(C1(O)C#N)C)C Molport-002-800-273 [0,2,0,0,0,0|0,0,2]=4 81 B14R2.13968 CCC1(C(C2CCC1(C2)C)(C)C)O Molport-003-960-125 [0,2,0,0,0,0|0,0,2]=4 82 B14R2.13968 CCC1(C([C@@H]2CC[C@]1(C2)C)(C)C)O Molport-051-990-048 [0,2,0,0,0,0|0,0,2]=4 83 B14R2.23744 CC1(C2CCC(C2)(C1=C)C(=O)N)C Molport-000-421-912 [0,2,0,0,0,0|1,0,1]=4 84 B14R2.23744 CC1(C2CCC(C2)(C1=C)C(=O)O)C Molport-000-421-911 [0,2,0,0,0,0|1,0,1]=4 85 B14R2.23744 CC1(C2CCC(C2)(C1=C)C(=O)[O-])C Molport-000-706-606 [0,2,0,0,0,0|1,0,1]=4 86 B14R2.23744 CC1(C2CCC(C2)(C1=O)C(=O)N)C Molport-000-247-737 [0,2,0,0,0,0|0,0,1]=3 87 B14R2.23744 CC1(C2CCC(C2)(C1=O)C(=O)O)C Molport-000-422-028 [0,2,0,0,0,0|0,0,1]=3 88 B14R2.23744 CC1(C2CCC(C2)(C1=O)C(=O)[O-])C Molport-000-712-942 [0,2,0,0,0,0|0,0,1]=3 89 B12R2.5594 C[C@@]12CC[C@@H](C1)C(NC2)(C)C Molport-042-683-860 [0,0,1,1,0,0|2,0,0]=4 90 B12R2.2439 CC1(C(=O)CC2CC2C1=O)C Molport-039-330-998 [0,0,1,1,0,0|1,0,1]=4 91 B12R2.254 CC(C)C1NCC12CCCC2 Molport-039-241-126 [0,0,1,1,0,0|1,0,1]=4 92 B12R3.4045 CC12C3C1CC(C3)C2(C)C Molport-006-111-525 [1,0,0,1,0,0|1,0,1]=4 93 B12R3.4045 C[C@]12[C@@H]3[C@H]1C[C@@H](C3)C2(C)C Molport-051-905-956 [1,0,0,1,0,0|1,0,1]=4 94 B12R1.2854 CC1(CC(=O)C(CC1=O)(C)C)C Molport-023-298-937 [0,0,1,0,0,1|1,0,1]=4 95 B12R1.3007 CC1(CC(=O)C(C(=O)C1)(C)C)C Molport-003-873-397 [0,0,1,0,0,1|1,0,1]=4 96 B12R1.2206 CC(O)C(=O)C1(CCCCC1)C Molport-035-831-587 [0,0,1,0,0,1|1,0,0]=3 97 B12R1.2212 CC(=C)C(=O)OC1(CCCC1)C Molport-047-589-974 [0,0,1,0,0,1|0,0,2]=4 98 B12R2.2482 CC12CNC(C1)CC(C2)(C)C Molport-002-045-309 [1,0,0,0,0,1|1,0,1]=4 99 B12R2.2482 C[C@@]12CN[C@@H](C1)CC(C2)(C)C Molport-016-631-564 [1,0,0,0,0,1|1,0,1]=4 100 B12R2.2482 C[C@@]12CN[C@@H](C1)CC(C2)(C)C Molport-044-830-435 [1,0,0,0,0,1|1,0,1]=4 101 B12R2.5234 CC12CCC(CC1)C(O2)(C)C Molport-003-929-343 [1,0,0,0,0,1|1,0,0]=3 102 B12R2.5234 CC12CC[C@@H](CC1)C(O2)(C)C Molport-039-339-173 [1,0,0,0,0,1|1,0,0]=3 103 B12R2.5234 C[C@@]12CC[C@@H](CC1)C(O2)(C)C Molport-003-666-059 [1,0,0,0,0,1|1,0,0]=3