0 B17R1.2672 CCC(NC(C)C)C(O)C1=CC=C(C(=C1)O)O MCULE-6133235522 [0,0,0,0,0,0|0,0,0]=0 1 B17R1.2672 CCC(NC(C)C)C(O)C1=CC=C(C(=C1)O)O MCULE-9029911971 [0,0,0,0,0,0|0,0,0]=0 2 B17R1.2672 CCC(NC(C)C)C(O)C1=CC=C(C(=C1)O)O MCULE-9602315172 [0,0,0,0,0,0|0,0,0]=0 3 B16R1.1089 CC(C)C[C@@H](O)[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-7665022976 [1,0,0,0,0,0|3,0,0]=4 4 B16R1.1089 CC(C)C[C@@H](O)[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-8449952475 [1,0,0,0,0,0|3,0,0]=4 5 B16R1.1089 CC(C)C[C@H](O)[C@H](N)C1=CC=C(C(=C1)O)O MCULE-3353959282 [1,0,0,0,0,0|3,0,0]=4 6 B16R1.1089 CC(C)C[C@H](O)[C@H](N)C1=CC=C(C(=C1)O)O MCULE-6133887234 [1,0,0,0,0,0|3,0,0]=4 7 B16R1.1089 CC(C)NC(C)C(O)C1=CC=C(C(=C1)O)O MCULE-2730319314 [1,0,0,0,0,0|0,0,0]=1 8 B15R1.880 CC1=CC=C(C=C1)C(O)C(C)NC(C)C MCULE-8722372192 [2,0,0,0,0,0|1,0,0]=3 9 B15R1.880 CC1=CC=C(C=C1)C(O)C(C)[NH2+]C(C)C MCULE-3799979087 [2,0,0,0,0,0|1,0,1]=4 10 B15R1.889 CC(C)CC[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-3421193438 [2,0,0,0,0,0|2,0,0]=4 11 B15R1.889 CC(C)CC[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-5837166465 [2,0,0,0,0,0|2,0,0]=4 12 B15R1.889 CC(C)CC[C@H](N)C1=CC=C(C(=C1)O)O MCULE-5452009360 [2,0,0,0,0,0|2,0,0]=4 13 B15R1.889 CC(C)CC[C@H](N)C1=CC=C(C(=C1)O)O MCULE-7234770848 [2,0,0,0,0,0|2,0,0]=4 14 B15R1.889 CC(C)NCC(=O)C1=CC(=C(C=C1)O)O MCULE-3317742925 [2,0,0,0,0,0|0,0,2]=4 15 B15R1.889 CC(C)NCC(O)C1=CC(=C(C=C1)Cl)Cl MCULE-5460536983 [2,0,0,0,0,0|2,0,0]=4 16 B15R1.889 CC(C)NCC(O)C1=CC(=C(C=C1)Cl)Cl MCULE-8732135845 [2,0,0,0,0,0|2,0,0]=4 17 B15R1.889 CC(C)NCC(O)C1=CC(=C(C=C1)O)O MCULE-4087471887 [2,0,0,0,0,0|0,0,0]=2 18 B15R1.889 CC(C)NCC(O)C1=CC(=C(C=C1)O)O MCULE-6061231962 [2,0,0,0,0,0|0,0,0]=2 19 B15R1.889 CC(C)NCC(O)C1=CC=C(C(=C1)O)O MCULE-2476079421 [2,0,0,0,0,0|0,0,0]=2 20 B15R1.889 CC(C)NC[C@@H](O)C1=CC=C(C(=C1)O)O MCULE-4218658516 [2,0,0,0,0,0|0,0,0]=2 21 B15R1.889 CC(C)NC[C@@H](O)C1=CC=C(C(=C1)O)O MCULE-5148791752 [2,0,0,0,0,0|0,0,0]=2 22 B15R1.889 CC(C)NC[C@@H](O)C1=CC=C(C(=C1)O)O MCULE-5206982597 [2,0,0,0,0,0|0,0,0]=2 23 B15R1.889 CC(C)NC[C@H](O)C1=CC=C(C(=C1)O)O MCULE-2073498392 [2,0,0,0,0,0|0,0,0]=2 24 B15R1.889 CC(C)NC[C@H](O)C1=CC=C(C(=C1)O)O MCULE-7566942306 [2,0,0,0,0,0|0,0,0]=2 25 B15R1.889 CC(C)NC[C@H](O)C1=CC=C(C(=C1)O)O MCULE-8516637792 [2,0,0,0,0,0|0,0,0]=2 26 B15R1.889 CC(C)NC[C@H](O)C1=CC=C(C(=C1)O)O MCULE-8814574042 [2,0,0,0,0,0|0,0,0]=2 27 B15R1.889 CC(C)[NH2+]CC(O)C1=CC(=C(C=C1)O)O MCULE-1456958404 [2,0,0,0,0,0|0,0,1]=3 28 B15R1.889 CC(C)[NH2+]C[C@@H](O)C1=CC=C(C(=C1)O)O MCULE-5166646489 [2,0,0,0,0,0|0,0,1]=3 29 B15R1.889 N(CC(O)C1=CC(=C(C=C1)O)O)C(C)C MCULE-7822196318 [2,0,0,0,0,0|0,0,0]=2 30 B15R1.3956 CCNC(C)C(O)C1=CC=C(C(=C1)O)O MCULE-1057153712 [2,0,0,0,0,0|0,0,0]=2 31 B15R1.3956 CCNC(C)C(O)C1=CC=C(C(=C1)O)O MCULE-3202225530 [2,0,0,0,0,0|0,0,0]=2 32 B17R2.219 N[C@@H](C1=CC=C(C(=C1)O)O)C2CCCCC2 MCULE-2368230317 [1,0,0,1,0,0|2,0,0]=4 33 B17R2.219 N[C@@H](C1=CC=C(C(=C1)O)O)C2CCCCC2 MCULE-2670033842 [1,0,0,1,0,0|2,0,0]=4 34 B17R2.219 N[C@H](C1=CC=C(C(=C1)O)O)C2CCCCC2 MCULE-5298363990 [1,0,0,1,0,0|2,0,0]=4 35 B17R2.219 N[C@H](C1=CC=C(C(=C1)O)O)C2CCCCC2 MCULE-7471144961 [1,0,0,1,0,0|2,0,0]=4 36 B17R2.219 OC1=CC=C(C=C1O)[C@@H](O)[C@@H]2CCCCN2 MCULE-5469042121 [1,0,0,1,0,0|0,0,0]=2 37 B19R2.371206 CC(C)N[C@@H]1CCC2=C(C(=CC=C2[C@H]1O)O)CO MCULE-2385271187 [0,1,0,1,0,0|0,0,0]=2 38 B19R2.371206 CC(C)N[C@@H]1CCC2=C(C(=CC=C2[C@H]1O)O)CO MCULE-2793790129 [0,1,0,1,0,0|0,0,0]=2 39 B15R1.890 CC(C)[C@@H](O)[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-1950636113 [1,0,0,0,1,0|2,0,0]=4 40 B15R1.890 CC(C)[C@@H](O)[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-7646684595 [1,0,0,0,1,0|2,0,0]=4 41 B15R1.890 CC(C)[C@H](O)[C@H](N)C1=CC=C(C(=C1)O)O MCULE-4395469981 [1,0,0,0,1,0|2,0,0]=4 42 B15R1.890 CC(C)[C@H](O)[C@H](N)C1=CC=C(C(=C1)O)O MCULE-7863355443 [1,0,0,0,1,0|2,0,0]=4