0 B14R0.394 CCCCCCCCCCCCN(C)C Molport-003-929-206 [0,0,0,0,0,0|3,0,0]=3 1 B14R0.394 CCCCCCCCSCCSC(=N)N Molport-035-716-240 [0,0,0,0,0,0|4,0,0]=4 2 B14R0.394 O=C(O)CCOCCOCCOCCS Molport-039-331-418 [0,0,0,0,0,0|4,0,0]=4 3 B13R0.54 CCCCCCCCCCNC(=O)N Molport-002-320-467 [1,0,0,0,0,0|2,0,0]=3 4 B13R0.54 CCCCCCCCCCOC(=S)[S-] Molport-002-549-546 [1,0,0,0,0,0|1,2,0]=4 5 B13R0.54 CCCCCCCCSCCC(=O)N Molport-006-828-168 [1,0,0,0,0,0|2,0,0]=3 6 B13R0.54 CCCCCCCCSCCC(=O)O Molport-002-707-674 [1,0,0,0,0,0|1,0,0]=2 7 B13R0.54 O=C(O)CCCCCCCCC#CBr Molport-003-906-683 [1,0,0,0,0,0|1,0,2]=4 8 B13R0.54 O=C(O)CCCCCCCCCCBr Molport-000-701-213 [1,0,0,0,0,0|1,0,0]=2 9 B13R0.54 O=C(O)CCCCCCCCCCCl Molport-002-507-935 [1,0,0,0,0,0|1,0,0]=2 10 B13R0.54 O=C(O)CCCCCCCCCCO Molport-000-156-417 [1,0,0,0,0,0|1,0,0]=2 11 B13R0.336 C=CCSCCCCCCCCCC Molport-006-828-141 [1,0,0,0,0,0|2,0,0]=3 12 B13R0.336 CCCCCCCCCCSCCO Molport-002-704-966 [1,0,0,0,0,0|1,0,1]=3 13 B13R0.336 OCCCCCOCCCCCCCl Molport-046-858-218 [1,0,0,0,0,0|2,0,1]=4 14 B15R0.69 CCCCCCCCCCC(O)CC(=O)O Molport-044-727-779 [0,1,0,0,0,0|0,0,0]=1 15 B15R0.81 COC(=O)CCCCCCCCCCCN Molport-046-590-489 [0,1,0,0,0,0|1,0,0]=2 16 B15R0.88 CCCCCCCCCC(=O)NCC(=O)O Molport-002-131-748 [0,1,0,0,0,0|1,0,1]=3 17 B15R0.88 CCCCCCCCOC(=O)CCC(=O)O Molport-046-683-380 [0,1,0,0,0,0|1,0,1]=3 18 B15R0.88 CCCCOCCCNC(=O)CCC(=O)O Molport-002-943-230 [0,1,0,0,0,0|2,0,1]=4 19 B15R0.129 CCCCCCNC(=O)NCCCC(=O)O Molport-002-910-503 [0,1,0,0,0,0|2,0,1]=4 20 B15R0.164 CCC/C=C\CCCCCCCOC(=O)C Molport-006-125-474 [0,1,0,0,0,0|1,0,2]=4 21 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] Molport-046-417-138 [0,1,0,0,0,0|0,0,1]=2 22 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] Molport-051-610-610 [0,1,0,0,0,0|0,0,1]=2 23 B15R0.164 CCCCCCCCCCCCOC(=S)[S-] Molport-000-798-365 [0,1,0,0,0,0|0,2,0]=3 24 B15R0.164 CCCCCCCCCCCCSC(=N)N Molport-035-716-590 [0,1,0,0,0,0|2,0,0]=3 25 B15R0.164 CCCCCCCCCCSCCC(=O)O Molport-002-706-908 [0,1,0,0,0,0|0,0,0]=1 26 B15R0.164 CCCCCCCCSCCCCC(=O)O Molport-001-758-779 [0,1,0,0,0,0|0,0,0]=1 27 B15R0.164 [N-]=[N+]=NCCCCCCCCCCC(=O)O Molport-046-649-372 [0,1,0,0,0,0|2,0,0]=3 28 B15R0.234 CCCCCC(=O)NCCCCCC(=O)[O-] Molport-002-131-766 [0,1,0,0,0,0|1,0,2]=4 29 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C Molport-003-927-087 [0,1,0,0,0,0|3,0,0]=4 30 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C Molport-003-932-991 [0,1,0,0,0,0|3,0,0]=4 31 B15R0.252 CCCCCCCCCCCOS(=O)(=O)C Molport-002-904-273 [0,1,0,0,0,0|2,0,1]=4 32 B15R1.6595 O=C1CCCCCCCCCCCCO1 Molport-001-917-573 [0,0,0,1,0,0|0,0,0]=1 33 B15R1.9036 CC(=O)C1=CCCCCCCCCCC1 Molport-002-537-209 [0,0,0,1,0,0|1,0,2]=4 34 B15R1.9036 CC(=O)C1CCCCCCCCCCC1 Molport-000-717-965 [0,0,0,1,0,0|1,0,0]=2 35 B15R1.9036 CC(O)C1CCCCCCCCCCC1 Molport-002-645-389 [0,0,0,1,0,0|1,0,1]=3 36 B12R0.5 CCCCCCCCCSCCO Molport-005-306-904 [2,0,0,0,0,0|1,0,0]=3 37 B12R0.234 C#CCCCCCCCCC(=O)O Molport-000-736-634 [2,0,0,0,0,0|0,0,2]=4 38 B12R0.234 CC#CCCCCCCCC(=O)O Molport-002-498-113 [2,0,0,0,0,0|0,0,2]=4 39 B12R0.234 CCCCCCCCSCC(=O)N Molport-006-827-630 [2,0,0,0,0,0|2,0,0]=4 40 B12R0.234 CCCCCCCCSCC(=O)O Molport-005-258-852 [2,0,0,0,0,0|1,0,0]=3 41 B14R0.88 O=P(O)(O)CCCCCCCCCCBr Molport-035-784-377 [1,1,0,0,0,0|2,0,0]=4 42 B14R0.305 COC(=O)CCCCCCCCC(=O)O Molport-001-741-011 [1,1,0,0,0,0|1,0,1]=4 43 B14R0.337 CCCCCCCCCCCC(=N)OC Molport-002-044-435 [1,1,0,0,0,0|1,0,0]=3 44 B14R0.337 CCCCCCCCCCCC(=O)NN Molport-000-146-578 [1,1,0,0,0,0|1,0,0]=3 45 B14R0.337 CCCCCCCCCCOC(=O)CCl Molport-003-909-855 [1,1,0,0,0,0|2,0,0]=4 46 B14R0.340 CCCCCCCCCCC(O)C(=O)O Molport-003-916-816 [1,1,0,0,0,0|0,0,0]=2 47 B14R0.344 CCCCCCCCS(=O)CCC(=O)N Molport-006-828-155 [1,1,0,0,0,0|2,0,0]=4 48 B14R0.344 CCCCCCCCS(=O)CCC(=O)O Molport-001-758-380 [1,1,0,0,0,0|1,0,0]=3 49 B14R0.344 CCCCCCCNC(=O)CCC(=O)O Molport-002-110-865 [1,1,0,0,0,0|1,0,1]=4 50 B14R0.391 CCCCCCCCCC(O)CC(=O)O Molport-003-941-643 [1,1,0,0,0,0|0,0,0]=2 51 B14R0.179 CCCCCCCCS(=O)CCCCO Molport-002-740-433 [1,1,0,0,0,0|1,0,1]=4 52 B14R0.392 CC/C=C/CCCCCCCCCCO Molport-002-511-086 [1,1,0,0,0,0|0,0,2]=4 53 B14R0.392 CCCCCCCCCCCCCC=O Molport-001-792-110 [1,1,0,0,0,0|0,0,0]=2 54 B14R0.392 CCCCCCCCCCCCN=[N+]=[N-] Molport-011-151-061 [1,1,0,0,0,0|2,0,0]=4 55 B14R0.392 CCCCCCCCCCSCCCO Molport-006-828-130 [1,1,0,0,0,0|0,0,1]=3 56 B14R0.392 CCCCCCCNCCCCCCC Molport-001-792-330 [1,1,0,0,0,0|1,0,1]=4 57 B14R0.392 OCCCCCCCCCCCCCBr Molport-000-704-444 [1,1,0,0,0,0|0,0,1]=3 58 B14R0.393 CCCCCCCCCCS(=O)CCO Molport-002-707-678 [1,1,0,0,0,0|1,0,1]=4 59 B16R0.60 CC(=O)NCCCCCCCC(C)CC(=O)O Molport-002-135-178 [0,2,0,0,0,0|1,0,1]=4 60 B16R0.302 CCCCCCCCCCC[C@@H](O)CC(=O)O Molport-001-741-230 [0,2,0,0,0,0|0,0,0]=2 61 B16R0.1182 CCCCCCCCCCC(O)CC(=O)OC Molport-046-426-538 [0,2,0,0,0,0|0,0,0]=2 62 B16R0.221 CCCCCCCCCCCCCC(=O)NN Molport-001-619-356 [0,2,0,0,0,0|1,0,0]=3 63 B16R0.221 CCCCCCCCCCCCNC(=O)CCl Molport-003-909-883 [0,2,0,0,0,0|1,0,0]=3 64 B16R0.222 CCCCCCCCCCCCC(CO)CO Molport-003-707-424 [0,2,0,0,0,0|0,0,2]=4 65 B16R0.224 CCCCCCCCCCCCC(O)C(=O)O Molport-001-011-666 [0,2,0,0,0,0|0,0,0]=2 66 B16R0.3292 C=CS(=O)(=O)CCCCCCCCCCCC Molport-006-827-626 [0,2,0,0,0,0|1,0,1]=4 67 B16R0.6606 CCCCCCCCCC(C)COC(=O)CCl Molport-004-831-312 [0,2,0,0,0,0|2,0,0]=4 68 B16R0.1191 CCCCCCCCCC(=O)NC(C)C(=O)O Molport-002-319-760 [0,2,0,0,0,0|1,0,1]=4 69 B16R0.2265 NC(CCCCCCCCCC(=O)O)C(=O)O Molport-002-135-174 [0,2,0,0,0,0|1,0,1]=4 70 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)O Molport-046-698-913 [0,2,0,0,0,0|0,0,1]=3 71 B16R0.3183 CCCCCCCCCCS(=O)CCC(=O)O Molport-006-828-131 [0,2,0,0,0,0|0,0,0]=2 72 B16R0.1820 CCCCCCCCS(=O)CCCCC(=O)O Molport-006-828-154 [0,2,0,0,0,0|0,0,0]=2 73 B16R0.4657 NC(CCCCCC(=O)O)CCCCC(=O)O Molport-002-509-395 [0,2,0,0,0,0|1,0,1]=4 74 B16R0.274 CCCCCCCCCCCCSCC(=O)O Molport-001-825-412 [0,2,0,0,0,0|0,0,0]=2 75 B16R0.274 CCCCCCCCCCSCCSC(=N)N Molport-035-716-237 [0,2,0,0,0,0|2,0,0]=4 76 B16R0.274 CCCCCCCCCCSCCSC(=N)N Molport-035-716-241 [0,2,0,0,0,0|2,0,0]=4 77 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)O Molport-002-319-763 [0,2,0,0,0,0|0,0,1]=3 78 B16R0.297 CCCCOCCCNC(=O)CCCC(=O)O Molport-004-840-243 [0,2,0,0,0,0|1,0,1]=4 79 B16R0.331 NC(CCCCCCC(=O)O)CCCC(=O)O Molport-002-512-314 [0,2,0,0,0,0|1,0,1]=4 80 B16R0.2309 [2H]C([2H])([2H])CCCCCCCCCCC(=O)O Molport-003-934-553 [0,2,0,0,0,0|1,0,0]=3 81 B14R1.26 CCCCCCCC1CCCC(=O)O1 Molport-002-638-710 [1,0,0,1,0,0|0,0,0]=2 82 B14R1.4408 O=C1CCCCCCCCCCCN1 Molport-001-787-913 [1,0,0,1,0,0|1,0,0]=3 83 B14R1.4728 CCCCCCCCC1CC1C(=O)O Molport-002-507-274 [1,0,0,1,0,0|0,0,0]=2 84 B14R1.4972 CC1(CCCCCCCCCCC1)O Molport-002-915-943 [1,0,0,1,0,0|1,0,1]=4 85 B14R1.216 CCCCCCCCC1CCCC1N Molport-002-916-124 [1,0,0,1,0,0|1,0,1]=4 86 B14R1.247 CC1CCCCCCCCCCC1=O Molport-000-737-982 [1,0,0,1,0,0|0,0,0]=2 87 B14R1.845 ON=C1CCCCCCCCCCC1 Molport-001-765-983 [1,0,0,1,0,0|1,0,1]=4 88 B14R1.882 CCCCCC/C=C/1\CCCCC1=O Molport-000-722-317 [1,0,0,1,0,0|0,0,2]=4 89 B14R1.882 CCCCCCCC1CCCCC1O Molport-000-732-911 [1,0,0,1,0,0|0,0,1]=3 90 B16R1.18167 CC(=O)CC1CCCCCCCCCCC1 Molport-002-506-963 [0,1,0,1,0,0|1,0,0]=3 91 B16R1.20337 CCCCCCCCCCC1CC1C(=O)O Molport-002-964-483 [0,1,0,1,0,0|0,0,0]=2 92 B16R1.402 CC1CCCCCCCCCCCOC1=O Molport-046-851-782 [0,1,0,1,0,0|0,0,0]=2 93 B16R1.1166 N/C(=N\O)/CCCCCCN1CCCCC1 Molport-002-940-922 [0,1,0,1,0,0|2,0,0]=4 94 B16R1.8816 O=C1CCCCCCCCCCOCCO1 Molport-001-917-579 [0,1,0,1,0,0|0,0,0]=2 95 B16R1.8816 OC1CCCCCCCCCCCCCC1 Molport-006-116-413 [0,1,0,1,0,0|1,0,1]=4 96 B16R1.17240 C/C(=N/O)/C1CCCCCCCCCCC1 Molport-001-900-642 [0,1,0,1,0,0|1,0,0]=3 97 B16R1.17240 C/C(=N\O)/C1CCCCCCCCCCC1 Molport-008-321-846 [0,1,0,1,0,0|1,0,0]=3 98 B16R1.1730 CCCCNC(=O)C1CCCCC1C(=O)O Molport-001-502-647 [0,1,0,1,0,0|1,0,1]=4 99 B16R2.134226 O=C1NCCCCCN[C@@H]2[C@H]1CCCC2 Molport-044-365-115 [0,0,0,2,0,0|2,0,0]=4 100 B16R2.14939 O=C1NCCCCCCN[C@@H]2[C@H]1CCC2 Molport-044-362-074 [0,0,0,2,0,0|2,0,0]=4