QC-0353 unacceptable_atom Fe
QC-0425 unacceptable_atom V
QC-0568 unacceptable_atom Al
QC-0590 validation_error Sanitization error: Explicit valence for atom # 1 Sb, 7, is greater than permitted
QC-0627 unacceptable_atom Cr
QC-0639 unacceptable_atom Ca
QC-0645 unacceptable_atom Au
Line #459 Failed to load mol
QC-0817 unacceptable_atom Sc
QC-0824 unacceptable_atom Ca
QB-0014 unacceptable_atom In
QB-0147 unacceptable_atom Na
QB-0212 unacceptable_atom Na
QC-5986 MW > 999.0
QC-5993 unacceptable_atom Ca
QC-6209 unacceptable_atom Na
QC-6271 no_acceptable_nonsalt_component
QA-1378 unacceptable_atom K
QA-1390 unacceptable_atom Hg
QB-3737 unacceptable_atom Ru
QB-3851 unacceptable_atom In
QN-4551 unacceptable_atom Co
QN-5247 unacceptable_atom Ni
QZ-4363 unacceptable_atom Ca
QL-4350 isotopes2h > 0
QL-4351 isotopes2h > 0
QL-4352 isotopes2h > 0
QL-4353 isotopes2h > 0
QL-4354 isotopes2h > 0
QL-4355 isotopes2h > 0
QL-4356 isotopes2h > 0
QL-4357 isotopes2h > 0
QL-4358 isotopes2h > 0
QL-4359 isotopes2h > 0
QL-4360 isotopes2h > 0
QL-4364 isotopes2h > 0
QL-4366 isotopes2h > 0
QL-4368 isotopes2h > 0
QL-4369 isotopes2h > 0
QL-4370 isotopes2h > 0
QL-4371 isotopes2h > 0
QL-4372 isotopes2h > 0
QL-4373 isotopes2h > 0
QL-4374 isotopes2h > 0
QL-4376 isotopes2h > 0
QL-4377 isotopes2h > 0
QL-4379 isotopes2h > 0
QL-4384 isotopes2h > 0
QL-4385 isotopes2h > 0
QL-4475 isotopes2h > 0
QL-4478 isotopes2h > 0
QL-4481 isotopes2h > 0
QL-4483 isotopes2h > 0
QL-4484 isotopes2h > 0
QL-4486 isotopes2h > 0
QL-4494 isotopes2h > 0
QL-4501 isotopes2h > 0
QL-4503 isotopes2h > 0
QL-4504 isotopes2h > 0
QL-4505 isotopes2h > 0
QL-4537 isotopes2h > 0
QL-4543 isotopes2h > 0
QL-4544 isotopes2h > 0
QL-4545 isotopes2h > 0
QL-4546 isotopes2h > 0
QL-4547 isotopes2h > 0
QL-4559 isotopes2h > 0
QL-4560 isotopes2h > 0
QL-4561 isotopes2h > 0
QL-4562 isotopes2h > 0
QL-4595 isotopes2h > 0
QL-4652 isotopes2h > 0
QL-4653 isotopes2h > 0
Line #262 Failed to load mol
Line #266 Failed to load mol
Line #272 Failed to load mol
Line #274 Failed to load mol
Line #275 Failed to load mol
Line #276 Failed to load mol
QF-4926 unacceptable_atom Ga
QF-4957 unacceptable_atom Ag
QF-5091 validation_error Sanitization error: Explicit valence for atom # 18 Br, 3, is greater than permitted
QF-5164 unacceptable_atom Cu
QF-5214 no_acceptable_nonsalt_component
QF-5267 unacceptable_atom Dy
QF-5387 unacceptable_atom Ce
QF-5443 unacceptable_atom Ce
QF-5820 unacceptable_atom Ba
QF-5917 unacceptable_atom Al
Line #266 Failed to load mol
QF-5988 unacceptable_atom Ti
QF-6051 unacceptable_atom Mg
QF-6174 no_acceptable_nonsalt_component
QF-6433 validation_error Sanitization error: Explicit valence for atom # 7 Bi, 5, is greater than permitted
QF-6434 unacceptable_atom W,Se
QF-6606 unacceptable_atom Cu
QF-6612 isotopes2h > 0
QF-6711 unacceptable_atom Cu
QF-6718 MW < 50.0
QF-6763 validation_error Sanitization error: Explicit valence for atom # 1 Br, 4, is greater than permitted
QF-6819 validation_error Sanitization error: Explicit valence for atom # 1 Bi, 5, is greater than permitted
QE-6588 unacceptable_atom Ca
QE-6596 MW < 50.0
QE-6645 unacceptable_atom Ba
QE-6678 no_acceptable_nonsalt_component
QE-6686 unacceptable_atom Ir
QE-6754 unacceptable_atom Eu
QE-6760 unacceptable_atom Fe
QE-6768 unacceptable_atom Cu
QE-6825 MW < 50.0
QE-6860 unacceptable_atom Ca
QE-6910 unacceptable_atom Eu
QE-7130 unacceptable_atom Cu
QE-7169 unacceptable_atom Mg
QE-7179 no_acceptable_nonsalt_component
QE-7194 unacceptable_atom Ir
QE-7256 unacceptable_atom Tl
QE-7306 unacceptable_atom Co
QE-7316 unacceptable_atom Cd
QE-7380 MW < 50.0
QE-7462 unacceptable_atom Ca
QE-7539 no_acceptable_nonsalt_component
QE-7543 no_acceptable_nonsalt_component
OT-0560 unacceptable_atom Pd
QD-0124 MW > 999.0
QD-0670 no_acceptable_nonsalt_component
QD-1431 unacceptable_atom Cu
ST-6647 unacceptable_atom Sc
ST-6661 unacceptable_atom Ce
ST-6762 unacceptable_atom Rh
ST-6852 unacceptable_atom Yb
ST-6889 unacceptable_atom Na
ST-6913 unacceptable_atom Sc
QE-0940 no_acceptable_nonsalt_component
QE-1064 unacceptable_atom Cu
QE-1173 unacceptable_atom Pb
QE-1233 no_acceptable_nonsalt_component
QE-1275 unacceptable_atom Dy
QE-1324 validation_error Sanitization error: Explicit valence for atom # 18 Br, 3, is greater than permitted
QE-1424 unacceptable_atom Cr
QE-1439 unacceptable_atom Ni
QE-1519 unacceptable_atom Cu
QE-1613 unacceptable_atom Cr
QE-1618 MW < 50.0
QE-1690 unacceptable_atom Pd
QE-1750 unacceptable_atom Cu
QE-1783 unacceptable_atom Zn
QE-1813 unacceptable_atom Se
ST-1565 MW < 50.0
HC-4255 isotopes2h > 0
HC-4256 isotopes2h > 0
HC-4262 validation_error Sanitization error: Explicit valence for atom # 1 N, 4, is greater than permitted
HC-4266 isotopes2h > 0
HC-4267 isotopes2h > 0
QJ-3930 MW > 999.0
QJ-4067 MW > 999.0
QJ-4279 MW > 999.0
QH-1527 unacceptable_atom Sr
QH-1686 unacceptable_atom Ce
Line #122 Failed to load mol
Line #273 Failed to load mol
QH-2373 isotopes2h > 0
QH-2645 unacceptable_atom Al
QH-2702 unacceptable_atom Cu
QH-2716 unacceptable_atom Na
QV-8926 unacceptable_atom La
Line #109 Failed to load mol
QV-9296 unacceptable_atom Na
QJ-1485 MW > 999.0
QJ-1821 MW > 999.0
QJ-1937 unacceptable_atom Cu
QJ-2228 unacceptable_atom Ni
QJ-2403 unacceptable_atom Na
QV-1329 validation_error Sanitization error: Explicit valence for atom # 30 Sb, 7, is greater than permitted
Line #193 Failed to load mol
QV-1407 unacceptable_atom Rh
QV-1550 unacceptable_atom Pd
Line #386 Failed to load mol
QV-1767 validation_error Sanitization error: Explicit valence for atom # 23 Sb, 7, is greater than permitted
Line #42 Failed to load mol
QV-9959 MW > 999.0
QW-0109 MW > 999.0
QW-0267 MW > 999.0
QW-0482 unacceptable_atom Zn
QW-0511 unacceptable_atom Zn
QG-1695 validation_error Sanitization error: Explicit valence for atom # 8 Bi, 5, is greater than permitted
QG-1707 unacceptable_atom Pt
QG-2081 unacceptable_atom V
QG-2518 unacceptable_atom Zn
QG-2831 unacceptable_atom Fe
QG-3533 unacceptable_atom K
QG-4355 unacceptable_atom Au
QG-4473 unacceptable_atom As
QG-4947 unacceptable_atom Re
QG-4952 unacceptable_atom Pt
AN-3995 validation_error Sanitization error: Explicit valence for atom # 7 B, 4, is greater than permitted
Line #341 Failed to load mol
Line #350 Failed to load mol
Line #354 Failed to load mol
QV-5034 MW > 999.0
Line #220 Failed to load mol
QV-5370 unacceptable_atom Fe
QV-5700 unacceptable_atom Ca
CA-5513 unacceptable_atom Na
QH-7192 unacceptable_atom Na
QH-7246 unacceptable_atom Ni
QH-7308 no_acceptable_nonsalt_component
QH-7878 unacceptable_atom Au
QH-8193 sss > 0
QH-8206 unacceptable_atom Cu
QH-8317 unacceptable_atom Se
QW-7122 unacceptable_atom Zn
QW-7183 MW > 999.0
QW-7262 unacceptable_atom Ir
QW-7329 MW > 999.0
QW-7358 unacceptable_atom K
QW-7619 unacceptable_atom Li
QW-7680 unacceptable_atom Cu
QW-7786 unacceptable_atom Ga
QW-7826 MW > 999.0
QW-7866 unacceptable_atom Sr
QJ-8810 MW > 999.0
QJ-8886 MW > 999.0
QJ-9062 MW > 999.0
FA-4110 isotopes2h > 0
FA-4111 isotopes2h > 0
FA-4113 isotopes2h > 0
QY-2209 isotopes2h > 0
TB-3442 validation_error Sanitization error: Explicit valence for atom # 3 F, 2, is greater than permitted
TB-3548 validation_error Sanitization error: Explicit valence for atom # 17 B, 4, is greater than permitted
TB-5123 validation_error Sanitization error: Explicit valence for atom # 13 B, 4, is greater than permitted
TB-5281 validation_error Sanitization error: Explicit valence for atom # 9 B, 4, is greater than permitted
TB-7490 no_acceptable_nonsalt_component
TB-8526 validation_error Sanitization error: Explicit valence for atom # 11 F, 2, is greater than permitted
TB-8666 validation_error Sanitization error: Explicit valence for atom # 12 F, 2, is greater than permitted
TB-8843 validation_error Sanitization error: Explicit valence for atom # 1 B, 4, is greater than permitted
WA-0333 unacceptable_atom Pd
WA-0359 unacceptable_atom Pd
WA-2606 unacceptable_atom Cr
WA-3029 unacceptable_atom Mg
WA-5789 unacceptable_atom Fe
WA-7047 unacceptable_atom Mg
WA-8413 unacceptable_atom Ga
WA-9991 unacceptable_atom Cr
QD-6502 unacceptable_atom As
QD-6520 unacceptable_atom Zn
QD-6712 unacceptable_atom Na
QD-6800 unacceptable_atom Na
QD-7353 unacceptable_atom K
OR-6471 unacceptable_atom Fe
OS-7934 unacceptable_atom Os
OS-7950 unacceptable_atom Pd
OS-7951 unacceptable_atom Ag
OS-7997 unacceptable_atom Pt
QE-7648 unacceptable_atom Pb
QE-7694 unacceptable_atom Fe
QE-7748 unacceptable_atom Gd
QE-7787 unacceptable_atom Pb
QE-7793 unacceptable_atom Re
QE-7920 unacceptable_atom Ca
QE-7923 unacceptable_atom Pb
QE-7932 unacceptable_atom Ca
QE-8061 no_acceptable_nonsalt_component
QE-8145 unacceptable_atom Mg
QE-8226 no_acceptable_nonsalt_component
QE-8243 unacceptable_atom Pd
QE-8299 unacceptable_atom Cu
QE-8409 unacceptable_atom K
QE-8461 no_acceptable_nonsalt_component
QE-8468 unacceptable_atom Cu
QP-1261 ps > 0
QP-1401 unacceptable_atom Na
QP-1556 unacceptable_atom Na
QB-6777 unacceptable_atom Pt
QA-4149 unacceptable_atom Cr
QA-4378 unacceptable_atom Fe
QA-4439 unacceptable_atom Ca
QA-4484 unacceptable_atom K
QA-4541 unacceptable_atom Zn
QA-4625 validation_error Sanitization error: Explicit valence for atom # 1 Br, 3, is greater than permitted
QB-3280 unacceptable_atom Rb
QB-3344 unacceptable_atom Ag
QC-4306 MW > 999.0
QC-4310 unacceptable_atom Mn
QC-4325 MW > 999.0
QC-4400 unacceptable_atom Fe
QC-4420 unacceptable_atom V
QC-4451 unacceptable_atom Cu
QC-4564 unacceptable_atom V
QC-4571 unacceptable_atom Mn
QC-4593 unacceptable_atom Mn
QC-4670 MW > 999.0
QC-4702 unacceptable_atom Ca
QC-4728 unacceptable_atom Ni
QC-4733 unacceptable_atom Co
QB-1555 MW < 50.0
QB-1716 unacceptable_atom Ca
Line #235 Failed to load mol
QB-5374 validation_error Sanitization error: Explicit valence for atom # 1 C, 5, is greater than permitted
QB-5584 sss > 0
QB-5672 MW > 999.0
QB-5747 MW > 999.0
QB-5749 unacceptable_atom Rh
QB-8845 MW > 999.0
QB-8849 unacceptable_atom Se
QB-8897 unacceptable_atom Al
QA-1798 non-hydrogen_atoms < 4
QA-2028 unacceptable_atom Sr
QC-5432 unacceptable_atom Al
QC-5541 validation_error Sanitization error: Explicit valence for atom # 4 Bi, 5, is greater than permitted
QC-5704 MW < 50.0
QC-5759 unacceptable_atom Cu
QC-5851 unacceptable_atom Co
QC-5854 unacceptable_atom Mn
QC-5863 unacceptable_atom Zn
SS-7797 unacceptable_atom Ca
QA-7993 unacceptable_atom K
QA-8149 unacceptable_atom Mg
QA-8294 unacceptable_atom Cu
QA-8295 ps > 0
QC-2034 unacceptable_atom Mo
QC-2092 unacceptable_atom Te
QC-2115 sss > 0
QC-2119 unacceptable_atom Ca
QC-2192 isotopes13c > 0
QC-2242 unacceptable_atom Cu
QC-2355 unacceptable_atom Cu
QC-2361 unacceptable_atom Ca
QC-2481 unacceptable_atom Pt
QC-2506 MW > 999.0
QK-7670 isotopes2h > 0
QK-7671 isotopes2h > 0
Line #439 Failed to load mol
Line #441 Failed to load mol
Line #442 Failed to load mol
Line #444 Failed to load mol
Line #445 Failed to load mol
Line #446 Failed to load mol
Line #447 Failed to load mol
QN-2780 unacceptable_atom K
QE-1829 unacceptable_atom Ag
QE-2044 no_acceptable_nonsalt_component
QE-2144 unacceptable_atom Zn
QE-2244 no_acceptable_nonsalt_component
QE-2279 no_acceptable_nonsalt_component
QE-2476 no_acceptable_nonsalt_component
QE-2617 unacceptable_atom Fe
QE-2660 unacceptable_atom Fe
LD-1668 unacceptable_atom Na
Line #452 Failed to load mol
Line #464 Failed to load mol
Line #467 Failed to load mol
Line #493 Failed to load mol
QC-8310 unacceptable_atom Mn
QC-8354 MW > 999.0
QC-8358 unacceptable_atom Ag
QC-8550 MW > 999.0
QC-8552 unacceptable_atom Cs
QC-8558 unacceptable_atom Ca
QC-8580 unacceptable_atom K
QC-8583 MW > 999.0
QC-8616 unacceptable_atom Fe
QC-8683 unacceptable_atom Ca
QC-8697 unacceptable_atom Zn
QC-8765 MW > 999.0
QC-8806 unacceptable_atom Cu
ST-7102 unacceptable_atom Ca
ST-7285 unacceptable_atom Sm
ST-7692 unacceptable_atom Cs
Line #400 Failed to load mol
Line #424 Failed to load mol
QE-3920 unacceptable_atom Zn
QE-4230 unacceptable_atom Pd
QE-4263 unacceptable_atom Ag
QE-4276 no_acceptable_nonsalt_component
QE-4307 unacceptable_atom Cs
QE-4326 non-hydrogen_atoms < 4
QE-4589 unacceptable_atom Ti
QE-4688 unacceptable_atom Rh
YC-2612 unacceptable_atom Se
QF-6963 unacceptable_atom W
Line #34 Failed to load mol
QF-7236 unacceptable_atom Mn
QF-7364 unacceptable_atom Ca
QF-7702 unacceptable_atom Cs
Line #262 Failed to load mol
QF-7944 unacceptable_atom Fe
QF-8030 unacceptable_atom Ag
QF-8037 unacceptable_atom Ag
QF-8137 unacceptable_atom Mo
QF-8259 unacceptable_atom Fe
QF-8284 unacceptable_atom Zn
QF-8335 no_acceptable_nonsalt_component
QF-8345 unacceptable_atom Al
QF-8360 unacceptable_atom Cu
QF-8432 ps > 0
QF-8540 unacceptable_atom Cr
Line #460 Failed to load mol
BB-6828 unacceptable_atom Li
BB-8163 isotopes2h > 0
QI-6063 MW > 999.0
QI-6228 MW > 999.0
QI-6424 MW > 999.0
QI-6554 MW > 999.0
QI-6743 MW > 999.0
QI-6842 MW > 999.0
QI-6874 MW > 999.0
QI-7138 MW > 999.0
QI-7153 MW > 999.0
QI-7790 MW > 999.0
QI-7828 MW > 999.0
QI-7896 MW > 999.0
QI-8131 MW > 999.0
QI-8191 unacceptable_atom Mn
QI-8251 MW > 999.0
QI-8308 MW > 999.0
QV-1959 validation_error Sanitization error: Explicit valence for atom # 1 Bi, 7, is greater than permitted
QV-2138 unacceptable_atom Se
QV-2383 no_acceptable_nonsalt_component
QV-2619 unacceptable_atom Te,Al
QV-2671 MW > 999.0
QH-3303 unacceptable_atom Ag
QH-3408 unacceptable_atom Se
QH-3578 isotopes2h > 0
QH-3674 unacceptable_atom Fe
QH-3684 unacceptable_atom Mn
QH-3790 unacceptable_atom Pd
QH-3814 unacceptable_atom Cd
QH-3968 non-hydrogen_atoms < 4
QH-3973 no_acceptable_nonsalt_component
QH-4198 ps > 0
Line #312 Failed to load mol
QH-4338 unacceptable_atom Zr
QH-4344 unacceptable_atom As
QV-6589 MW < 50.0
QV-7079 unacceptable_atom Na
QJ-4780 MW > 999.0
QJ-4812 unacceptable_atom Fe
QJ-7939 MW > 999.0
QJ-7964 unacceptable_atom Zr
QJ-8164 MW > 999.0
QJ-8277 unacceptable_atom Na
QW-5806 unacceptable_atom Zn
QW-5826 unacceptable_atom Pd
QW-5934 unacceptable_atom Li
QW-6137 MW > 999.0
QW-6183 unacceptable_atom Mn
QW-6409 unacceptable_atom Ca
QW-6410 unacceptable_atom Zn
QW-6490 unacceptable_atom Na
QW-6531 unacceptable_atom Ru
QW-6840 unacceptable_atom Na
QV-4266 unacceptable_atom Cu
QV-4476 unacceptable_atom Cu
QV-4554 MW > 999.0
QV-4591 unacceptable_atom Na
Line #254 Failed to load mol
QV-4820 unacceptable_atom Na
QV-4870 unacceptable_atom Na
QV-4975 unacceptable_atom Ca
QV-4999 unacceptable_atom Ca
QI-3391 MW > 999.0
QI-3418 MW > 999.0
QI-3616 MW > 999.0
QI-4170 MW > 999.0
QI-4231 MW > 999.0
QI-4479 MW > 999.0
QI-4574 MW > 999.0
QI-4760 MW > 999.0
QI-4790 MW > 999.0
QI-4858 MW > 999.0
QI-4969 MW > 999.0
QI-4971 no_acceptable_nonsalt_component
QI-4976 MW > 999.0
QI-5017 MW > 999.0
QI-5139 MW > 999.0
QI-5147 MW > 999.0
QI-5210 MW > 999.0
QI-5351 MW > 999.0
QI-5436 MW > 999.0
QI-5610 MW > 999.0
QI-5791 MW > 999.0
QI-5883 MW > 999.0
BC-1052 unacceptable_atom Se
BC-1367 validation_error Sanitization error: Explicit valence for atom # 8 B, 4, is greater than permitted
Line #471 Failed to load mol
BC-1426 isotopes2h > 0
BC-1427 isotopes2h > 0
QW-3224 unacceptable_atom Zn
QW-3243 MW > 999.0
QW-3346 unacceptable_atom Zn
QW-3552 unacceptable_atom Mo
QW-3781 MW > 999.0
QW-3941 unacceptable_atom Zn
QW-4068 unacceptable_atom Ni
Line #295 Failed to load mol
QF-8938 unacceptable_atom V
QF-8948 unacceptable_atom Mg
QF-9083 unacceptable_atom Yb
QF-9112 unacceptable_atom Sr
QF-9170 unacceptable_atom Gd
QF-9274 unacceptable_atom Ag
QF-9300 unacceptable_atom Eu
QF-9307 unacceptable_atom Ru
QF-9400 unacceptable_atom Mn
QF-9571 unacceptable_atom Bi
QF-9655 validation_error Sanitization error: Explicit valence for atom # 14 As, 7, is greater than permitted
QF-9687 no_acceptable_nonsalt_component
QF-9715 unacceptable_atom Mg
QF-9796 no_acceptable_nonsalt_component
QF-9948 no_acceptable_nonsalt_component
QF-9989 unacceptable_atom Zr
QF-9999 unacceptable_atom Zr
QG-0897 MW < 50.0
QF-0831 unacceptable_atom K
QF-0864 unacceptable_atom Fe
QF-0882 no_acceptable_nonsalt_component
QF-0885 validation_error Sanitization error: Explicit valence for atom # 1 Te, 4, is greater than permitted
QF-1034 no_acceptable_nonsalt_component
QF-1062 unacceptable_atom Ag
QF-1069 unacceptable_atom K
QF-1182 unacceptable_atom Al
QF-1213 unacceptable_atom Ni
QF-1230 unacceptable_atom Eu
QF-1267 unacceptable_atom Cr
QF-1345 unacceptable_atom Co
Line #130 Failed to load mol
QF-1396 unacceptable_atom Ta
QF-1598 unacceptable_atom Ca
QF-1599 unacceptable_atom Cu
Line #186 Failed to load mol
QF-1623 unacceptable_atom Cr
QF-1898 unacceptable_atom Sb
QF-2046 unacceptable_atom Zn
QF-2047 unacceptable_atom Os
QF-2076 unacceptable_atom Zn
QF-2124 unacceptable_atom Au
QF-2357 no_acceptable_nonsalt_component
QF-2427 unacceptable_atom Ag
QF-2508 no_acceptable_nonsalt_component
QF-2520 MW < 50.0
QF-2556 unacceptable_atom Co
QF-2602 unacceptable_atom Se
QF-2697 unacceptable_atom Pd
QF-2809 unacceptable_atom Fe
QD-4678 MW > 999.0
QD-4778 unacceptable_atom Co
QD-4822 MW > 999.0
QD-5276 unacceptable_atom Ca
QD-5608 unacceptable_atom Al
QD-5786 MW > 999.0
TB-0033 validation_error Sanitization error: Explicit valence for atom # 3 B, 4, is greater than permitted
TB-0038 validation_error Sanitization error: Explicit valence for atom # 1 B, 4, is greater than permitted
TB-0039 validation_error Sanitization error: Explicit valence for atom # 1 B, 4, is greater than permitted
TB-0040 validation_error Sanitization error: Explicit valence for atom # 6 B, 4, is greater than permitted
TB-0041 validation_error Sanitization error: Explicit valence for atom # 5 B, 4, is greater than permitted
TB-2037 validation_error Sanitization error: Explicit valence for atom # 9 B, 4, is greater than permitted
TB-2074 validation_error Sanitization error: Explicit valence for atom # 1 B, 4, is greater than permitted
TB-2080 validation_error Sanitization error: Explicit valence for atom # 9 F, 2, is greater than permitted
TB-2096 validation_error Sanitization error: Explicit valence for atom # 1 B, 4, is greater than permitted
TB-2359 validation_error Sanitization error: Explicit valence for atom # 1 B, 4, is greater than permitted
TB-2384 validation_error Sanitization error: Explicit valence for atom # 9 F, 2, is greater than permitted
TB-2393 validation_error Sanitization error: Explicit valence for atom # 5 B, 4, is greater than permitted
TB-2445 validation_error Sanitization error: Explicit valence for atom # 8 B, 4, is greater than permitted
TB-2495 validation_error Sanitization error: Explicit valence for atom # 3 F, 2, is greater than permitted
TB-2511 validation_error Sanitization error: Explicit valence for atom # 1 B, 4, is greater than permitted
TB-2539 validation_error Sanitization error: Explicit valence for atom # 8 B, 4, is greater than permitted
TB-2630 validation_error Sanitization error: Explicit valence for atom # 1 B, 4, is greater than permitted
TB-2645 validation_error Sanitization error: Explicit valence for atom # 1 B, 4, is greater than permitted
QC-7763 MW > 999.0
QC-7913 unacceptable_atom In
QC-8085 unacceptable_atom Co
QC-8117 MW > 999.0
QC-8190 unacceptable_atom V
NA-0188 no_acceptable_nonsalt_component
Line #109 Failed to load mol
Line #110 Failed to load mol
Line #111 Failed to load mol
Line #112 Failed to load mol
Line #113 Failed to load mol
QZ-2672 unacceptable_atom Na
QZ-2773 unacceptable_atom Na
QM-3604 ps > 0
QB-0863 unacceptable_atom Co
QB-0989 MW > 999.0
QB-1225 unacceptable_atom Ca
QB-1364 sss > 0
ST-0044 unacceptable_atom Fe
QC-2637 unacceptable_atom Mo
QC-2668 MW > 999.0
QC-2757 unacceptable_atom Ni
QC-2773 unacceptable_atom Ge
QC-2798 MW > 999.0
QC-2811 unacceptable_atom Fe
QC-2944 unacceptable_atom Cu
QC-2959 unacceptable_atom Na
QC-2980 unacceptable_atom Ba
QC-2996 unacceptable_atom Cs
QC-3023 MW > 999.0
QA-7738 MW > 999.0
QA-0039 validation_error Sanitization error: Explicit valence for atom # 1 Br, 3, is greater than permitted
QA-0261 unacceptable_atom Ca
QA-3630 unacceptable_atom Cu
QA-3853 unacceptable_atom Bi
QA-3865 validation_error Sanitization error: Explicit valence for atom # 1 Br, 3, is greater than permitted
QA-3907 unacceptable_atom Na
QB-7424 unacceptable_atom Zn
QM-4997 unacceptable_atom Na
QM-5541 MW > 999.0
QN-8497 unacceptable_atom Na
QN-8853 unacceptable_atom Fe
QB-2558 MW > 999.0
QB-2649 unacceptable_atom Mg
QB-2744 unacceptable_atom Mg
QB-2759 MW > 999.0
QB-2949 MW < 50.0
QA-4836 validation_error Sanitization error: Explicit valence for atom # 1 Sb, 7, is greater than permitted
QA-5158 unacceptable_atom Na
QB-5888 unacceptable_atom Na
QB-5889 unacceptable_atom Rh
QB-5961 MW > 999.0
QB-6037 unacceptable_atom Ce
QB-6078 sss > 0
QB-6145 MW > 999.0
QB-6323 no_acceptable_nonsalt_component
QC-3807 unacceptable_atom Mn
QC-3853 unacceptable_atom Zn
QC-3867 unacceptable_atom Zn
QC-3896 unacceptable_atom Bi
QC-4003 unacceptable_atom Fe
QC-4025 unacceptable_atom Mn
QC-4079 unacceptable_atom Cs
QC-4100 unacceptable_atom Co
QC-4108 unacceptable_atom Ni
QC-4113 no_acceptable_nonsalt_component
QA-6134 ps > 0
QA-6187 unacceptable_atom Na
QA-6206 unacceptable_atom Na
QA-6207 unacceptable_atom Ca
QA-6446 unacceptable_atom Pt
QV-5856 MW > 999.0
QV-5948 MW > 999.0
Line #152 Failed to load mol
QV-6107 unacceptable_atom Na
QV-6301 isotopes13c > 0
QV-6399 unacceptable_atom Na
QV-6456 MW < 50.0
QV-6491 MW > 999.0
QV-6521 unacceptable_atom Zn
QH-8796 validation_error Sanitization error: Explicit valence for atom # 1 Bi, 5, is greater than permitted
QH-8951 unacceptable_atom Bi
QH-9865 no_acceptable_nonsalt_component
QI-0246 MW > 999.0
QI-0270 MW > 999.0
QI-0614 MW > 999.0
QI-0657 MW > 999.0
QW-0745 MW > 999.0
QW-0764 unacceptable_atom Zn
QW-0784 unacceptable_atom Ru
QW-0835 MW > 999.0
QW-0931 unacceptable_atom Zn
QW-1052 MW > 999.0
QW-1061 MW > 999.0
QW-1064 unacceptable_atom Rh
QW-1155 unacceptable_atom Zn
QW-1198 unacceptable_atom Rh
QW-1323 MW > 999.0
QW-1398 unacceptable_atom Ru
QW-1490 unacceptable_atom Ni
QW-1627 unacceptable_atom Zn
QW-1658 MW > 999.0
QW-1722 unacceptable_atom Sr
QW-1864 unacceptable_atom Zn
QW-1893 unacceptable_atom Mg
QG-5208 validation_error Sanitization error: Explicit valence for atom # 26 Cl, 2, is greater than permitted
QG-5325 unacceptable_atom Li
QG-5877 unacceptable_atom Ca
QG-6583 unacceptable_atom Ir
QG-6609 unacceptable_atom Pd
QG-7013 unacceptable_atom Pt
QG-7491 unacceptable_atom Pt
QG-7855 unacceptable_atom Bi
QG-8664 MW < 50.0
Line #209 Failed to load mol
Line #210 Failed to load mol
Line #216 Failed to load mol
Line #217 Failed to load mol
Line #219 Failed to load mol
Line #228 Failed to load mol
Line #165 Failed to load mol
Line #448 Failed to load mol
QW-8418 MW > 999.0
QW-8642 unacceptable_atom Fe
QW-8681 isotopes2h > 0
QW-8781 unacceptable_atom Zn
QW-8921 MW > 999.0
QW-8959 unacceptable_atom Zn
QW-9018 unacceptable_atom Rh
QW-9070 unacceptable_atom Zn
QD-8165 unacceptable_atom Ca
QD-8196 unacceptable_atom Ca
QD-8449 isotopes2h > 0
QD-9510 unacceptable_atom Na
QD-9527 MW > 999.0
QD-9735 validation_error Sanitization error: Explicit valence for atom # 8 Bi, 5, is greater than permitted
QD-9765 unacceptable_atom Mg
QD-9863 unacceptable_atom Ca
QC-6538 unacceptable_atom Mn
QC-6581 unacceptable_atom Ni
QC-6616 unacceptable_atom Mg
QC-6755 unacceptable_atom Fe
QC-6778 unacceptable_atom Na
QC-6796 MW > 999.0
QC-6839 unacceptable_atom Cu
QC-6863 unacceptable_atom Zn
QC-6920 MW > 999.0
QC-6955 unacceptable_atom Mn
QE-8508 unacceptable_atom Zn
QE-8591 no_acceptable_nonsalt_component
QE-8670 unacceptable_atom Gd
QE-8702 unacceptable_atom Fe
QE-8765 MW < 50.0
QE-8782 unacceptable_atom Ca
QE-8896 unacceptable_atom Co
QE-8930 MW < 50.0
QE-8951 no_acceptable_nonsalt_component
QE-8996 non-hydrogen_atoms < 4
QE-9009 unacceptable_atom Na
QE-9028 unacceptable_atom Na
QE-9117 MW > 999.0
QE-9196 unacceptable_atom Ti
QE-9308 no_acceptable_nonsalt_component
QE-9347 unacceptable_atom Cu
OS-7404 unacceptable_atom Pd
OS-7707 MW < 50.0
OS-7777 non-hydrogen_atoms < 4
Line #47 Failed to load mol
Line #59 Failed to load mol
Line #69 Failed to load mol
Line #75 Failed to load mol
Line #76 Failed to load mol
Line #88 Failed to load mol
Line #89 Failed to load mol
Line #91 Failed to load mol
Line #94 Failed to load mol
Line #99 Failed to load mol
Line #100 Failed to load mol
Line #101 Failed to load mol
Line #102 Failed to load mol
Line #103 Failed to load mol
Line #105 Failed to load mol
Line #106 Failed to load mol
Line #108 Failed to load mol
Line #109 Failed to load mol
Line #116 Failed to load mol
Line #119 Failed to load mol
Line #120 Failed to load mol
Line #121 Failed to load mol
Line #122 Failed to load mol
Line #123 Failed to load mol
Line #126 Failed to load mol
Line #136 Failed to load mol
Line #137 Failed to load mol
Line #140 Failed to load mol
Line #143 Failed to load mol
Line #147 Failed to load mol
Line #148 Failed to load mol
Line #256 Failed to load mol
PC-1052 unacceptable_atom Se
Line #371 Failed to load mol
Line #383 Failed to load mol
Line #386 Failed to load mol
Line #389 Failed to load mol
OT-1460 non-hydrogen_atoms < 4
QE-5680 unacceptable_atom Co
QE-5715 unacceptable_atom Ni
QE-5750 non-hydrogen_atoms < 4
QE-5770 MW < 50.0
QE-5861 unacceptable_atom V
QE-5925 non-hydrogen_atoms < 4
QE-5964 unacceptable_atom Fe
QE-5969 unacceptable_atom Ce
QE-6050 no_acceptable_nonsalt_component
QE-6075 unacceptable_atom Dy
QE-6150 unacceptable_atom Ca
QE-6176 unacceptable_atom Cu
QE-6185 no_acceptable_nonsalt_component
QE-6231 unacceptable_atom V
QE-6290 MW < 50.0
QE-6296 unacceptable_atom Ca
QE-6414 MW < 50.0
QF-2947 unacceptable_atom V
QF-3017 unacceptable_atom Bi
QF-3237 unacceptable_atom Ba
QF-3249 unacceptable_atom Cu
Line #78 Failed to load mol
QF-3378 MW < 50.0
QF-3381 unacceptable_atom Ag
QF-3404 non-hydrogen_atoms < 4
QF-3422 unacceptable_atom Ir
QF-3425 unacceptable_atom Ru
QF-3599 no_acceptable_nonsalt_component
Line #185 Failed to load mol
QF-3664 validation_error Sanitization error: Explicit valence for atom # 1 Br, 2, is greater than permitted
QF-4286 unacceptable_atom Zn
QF-4349 unacceptable_atom Cr
Line #386 Failed to load mol
QF-4401 unacceptable_atom In
QF-4402 unacceptable_atom In
QF-4470 unacceptable_atom W
Line #411 Failed to load mol
QF-4548 unacceptable_atom Ir
QF-4588 unacceptable_atom Eu
QF-4646 unacceptable_atom Fe
QF-4683 no_acceptable_nonsalt_component
Line #461 Failed to load mol
QF-4802 unacceptable_atom Ce
QE-0046 unacceptable_atom Ba
QE-0059 MW < 50.0
QE-0071 unacceptable_atom V
Line #88 Failed to load mol
QE-0149 unacceptable_atom Ba
QE-0172 unacceptable_atom Gd
QE-0259 no_acceptable_nonsalt_component
QE-0271 unacceptable_atom Ca
QE-0316 unacceptable_atom W
QE-0407 unacceptable_atom Cd
QE-0433 no_acceptable_nonsalt_component
QE-0508 isotopes2h > 0
QE-0571 no_acceptable_nonsalt_component
QE-0616 unacceptable_atom Eu
QE-0643 no_acceptable_nonsalt_component
QE-0689 MW < 50.0
QE-0703 unacceptable_atom Hg
QE-0716 non-hydrogen_atoms < 4
QE-0773 unacceptable_atom Mg
QE-0809 unacceptable_atom Cu
ST-1079 unacceptable_atom Yb
ST-1410 unacceptable_atom Yb
Line #128 Failed to load mol
Line #130 Failed to load mol
Line #134 Failed to load mol
Line #135 Failed to load mol
Line #136 Failed to load mol
Line #137 Failed to load mol
QC-9440 unacceptable_atom Fe
QC-9492 unacceptable_atom Mo
QC-9523 unacceptable_atom Pt
QC-9633 unacceptable_atom Pd
QC-9734 unacceptable_atom Mn
QC-9804 MW < 50.0
QC-9899 unacceptable_atom Ru
QC-9959 unacceptable_atom Pd
ST-6035 unacceptable_atom Yb
HC-4542 isotopes2h > 0
QW-9409 unacceptable_atom Mg
QW-9649 unacceptable_atom Ba
QW-9681 unacceptable_atom Zn
BB-5201 unacceptable_atom Li
BB-5202 unacceptable_atom Li
QJ-0571 MW > 999.0
QJ-0671 unacceptable_atom Na
QJ-0732 unacceptable_atom Co
QJ-0821 unacceptable_atom Na
QJ-1075 MW > 999.0
QJ-1110 unacceptable_atom Mg
QJ-1164 unacceptable_atom Pt
QJ-1262 unacceptable_atom Rh
QJ-1464 MW > 999.0
QG-9139 unacceptable_atom K
QG-9623 unacceptable_atom Rh
QG-9729 unacceptable_atom Re
QH-0205 unacceptable_atom Co
QH-1023 unacceptable_atom Cu
QH-1198 unacceptable_atom Ti
QV-8351 unacceptable_atom Pt
QV-8413 unacceptable_atom Na
Line #207 Failed to load mol
QV-8491 MW > 999.0
QV-8565 no_acceptable_nonsalt_component
QV-8574 no_acceptable_nonsalt_component
QV-8602 unacceptable_atom Cr
QV-8748 unacceptable_atom Bi
QV-8784 unacceptable_atom Ca
QA-9094 unacceptable_atom Zn
QA-9102 unacceptable_atom K
QA-9198 MW < 50.0
QA-9619 unacceptable_atom Fe
QA-9670 unacceptable_atom Na
QC-0860 unacceptable_atom Ag
QC-0982 unacceptable_atom Ga
QC-1036 unacceptable_atom Pt
QC-1107 unacceptable_atom Zn
QC-1121 unacceptable_atom Pd
QC-1347 unacceptable_atom Zn
QC-1377 unacceptable_atom Fe
QB-4519 unacceptable_atom Pd
QB-4562 unacceptable_atom Ca
QC-0016 unacceptable_atom Zn
QC-0079 unacceptable_atom Y
QC-0097 MW > 999.0
QC-0144 MW > 999.0
QC-0176 unacceptable_atom Co
QC-0201 unacceptable_atom K
QA-0524 unacceptable_atom Ca
QA-0747 unacceptable_atom Ag
QP-8626 unacceptable_atom Zn
QP-9550 unacceptable_atom Ni
Line #346 Failed to load mol
QV-0069 MW < 50.0
QV-0076 ps > 0
QV-0149 unacceptable_atom Gd
QN-6626 unacceptable_atom Pt
QN-7610 unacceptable_atom K
QY-8019 unacceptable_atom Na
QM-3306 unacceptable_atom Se
QP-4130 unacceptable_atom K
QM-4449 unacceptable_atom As
QM-4464 MW > 999.0
QM-4559 validation_error Sanitization error: Explicit valence for atom # 22 Cl, 3, is greater than permitted
QM-4695 unacceptable_atom Pd
QM-4870 unacceptable_atom Ca
QK-5259 validation_error Sanitization error: Explicit valence for atom # 18 Cl, 3, is greater than permitted
QK-5391 unacceptable_atom K
QA-7013 unacceptable_atom Zr
QA-7112 unacceptable_atom Na
QC-3112 unacceptable_atom Ni
QC-3173 unacceptable_atom Zn
QC-3229 unacceptable_atom Fe
QC-3262 unacceptable_atom Na
QC-3288 unacceptable_atom Mn
QC-3290 unacceptable_atom Eu
QC-3318 no_acceptable_nonsalt_component
QC-3460 unacceptable_atom Pd
QC-3617 unacceptable_atom Mn
SS-4199 unacceptable_atom Ag
SS-4266 unacceptable_atom Ag
SS-4368 unacceptable_atom Cu
SS-4498 unacceptable_atom Ag
QB-0619 unacceptable_atom Mg
QB-7643 unacceptable_atom Cu
QB-7803 unacceptable_atom K
QB-7834 unacceptable_atom Ca
QB-7991 unacceptable_atom Cr
QA-2910 no_acceptable_nonsalt_component
QA-3093 unacceptable_atom Sr
QA-3225 unacceptable_atom Cu
QA-3401 unacceptable_atom Ce
QA-3408 unacceptable_atom Cu
QA-3433 no_acceptable_nonsalt_component
QB-2061 unacceptable_atom Li
QB-2123 unacceptable_atom Ag
QB-2375 unacceptable_atom Pd
QW-4469 unacceptable_atom Eu
QW-4508 unacceptable_atom Rh
QW-4604 unacceptable_atom Zn
QW-4643 unacceptable_atom Cu
QW-4820 MW > 999.0
QW-4857 unacceptable_atom Cu
QW-4879 unacceptable_atom Zn
QW-4889 unacceptable_atom Na
QW-4947 unacceptable_atom Zn
QW-4982 MW > 999.0
QW-5029 unacceptable_atom Ni
QW-5063 MW > 999.0
QW-5146 MW > 999.0
QW-5252 unacceptable_atom Zn
QW-5278 MW > 999.0
QW-5427 MW > 999.0
QW-5469 MW > 999.0
QW-5474 unacceptable_atom Zn
QW-5487 unacceptable_atom Ca
QW-5675 unacceptable_atom Zn
QJ-6727 MW > 999.0
QJ-6740 MW > 999.0
QJ-7414 MW > 999.0
QJ-7559 isotopes13c > 0
QJ-7618 MW > 999.0
QW-2095 unacceptable_atom Ir
QW-2107 MW < 50.0
QW-2260 MW > 999.0
QW-2315 isotopes2h > 0
QW-2651 unacceptable_atom Li
QW-2654 unacceptable_atom Zn
QW-2726 MW > 999.0
QW-2830 unacceptable_atom Ru
QW-2903 unacceptable_atom Se
QW-3004 unacceptable_atom Zn
QW-3017 unacceptable_atom Mg
QW-3022 MW > 999.0
BB-2391 unacceptable_atom Li
BB-2534 unacceptable_atom Na
QV-3516 ps > 0
QV-4215 unacceptable_atom As
Line #33 Failed to load mol
Line #37 Failed to load mol
Line #42 Failed to load mol
BM-1900 unacceptable_atom Bi
QI-1005 MW > 999.0
QI-1403 MW > 999.0
QI-1462 MW > 999.0
QI-1608 MW > 999.0
QI-1930 MW > 999.0
QI-1968 MW > 999.0
QI-2124 MW > 999.0
QI-2235 MW > 999.0
QI-2253 MW > 999.0
QI-2477 MW > 999.0
QI-2773 MW > 999.0
QI-2784 MW > 999.0
QI-2788 MW > 999.0
QI-3256 MW > 999.0
QI-3292 MW > 999.0
QE-9520 unacceptable_atom Ba
QE-9577 no_acceptable_nonsalt_component
QE-9619 unacceptable_atom Sr
QE-9683 unacceptable_atom Na
QE-9762 unacceptable_atom Mn
QE-9799 unacceptable_atom Ni
QE-9806 unacceptable_atom Ru
QE-9925 MW < 50.0
Line #309 Failed to load mol
QF-0071 no_acceptable_nonsalt_component
QF-0121 no_acceptable_nonsalt_component
QF-0556 unacceptable_atom Zn
QF-0617 unacceptable_atom W
QF-0694 non-hydrogen_atoms < 4
QF-0732 no_acceptable_nonsalt_component
QF-0800 unacceptable_atom Ru
OR-0742 no_acceptable_nonsalt_component
QC-7241 ps > 0
QC-7313 MW > 999.0
QC-7334 unacceptable_atom Mn
QC-7427 unacceptable_atom Pd
QC-7477 unacceptable_atom Na
ST-4246 unacceptable_atom Sm
QD-2240 MW > 999.0
QD-3152 MW > 999.0
QD-3586 unacceptable_atom Mn
QD-3753 unacceptable_atom Se
QC-8881 unacceptable_atom Ir
QC-8993 validation_error Sanitization error: Explicit valence for atom # 40 Cl, 2, is greater than permitted
QC-9255 unacceptable_atom Ca
QC-9307 MW > 999.0
ST-8006 validation_error Sanitization error: Explicit valence for atom # 1 Br, 3, is greater than permitted
ST-8030 unacceptable_atom Sm
ST-8220 unacceptable_atom Yb
QE-2810 MW < 50.0
QE-2856 unacceptable_atom Zn
QE-2921 unacceptable_atom Ca
QE-2943 unacceptable_atom La
QE-2985 no_acceptable_nonsalt_component
QE-3140 no_acceptable_nonsalt_component
QE-3152 unacceptable_atom K
QE-3192 unacceptable_atom Ag
QE-3208 no_acceptable_nonsalt_component
QE-3228 unacceptable_atom Gd
QE-3232 unacceptable_atom Pt
QE-3337 unacceptable_atom K
QE-3350 unacceptable_atom Cu
QE-3412 unacceptable_atom Ni
QE-3420 no_acceptable_nonsalt_component
QE-3445 unacceptable_atom Cu
QE-3545 no_acceptable_nonsalt_component
QE-3559 MW > 999.0
QE-3628 MW > 999.0
QE-3673 no_acceptable_nonsalt_component
QE-4713 unacceptable_atom Pd
QE-5054 unacceptable_atom Sr
QE-5148 unacceptable_atom Bi
QE-5188 no_acceptable_nonsalt_component
QE-5232 unacceptable_atom Ba
QE-5363 unacceptable_atom Pd
QE-5478 no_acceptable_nonsalt_component
QE-5491 no_acceptable_nonsalt_component
QE-5609 no_acceptable_nonsalt_component
QE-5639 unacceptable_atom Na
OT-2328 unacceptable_atom Na
OT-2723 unacceptable_atom Pd
QH-5363 unacceptable_atom Pd
QH-5539 MW > 999.0
QH-5943 isotopes2h > 0
QH-6070 unacceptable_atom Se
QH-6078 no_acceptable_nonsalt_component
QH-6111 unacceptable_atom Cu
Line #27 Failed to load mol
QV-7612 unacceptable_atom Ru
Line #195 Failed to load mol
Line #264 Failed to load mol
QI-8700 MW > 999.0
QI-8717 MW > 999.0
QI-8886 MW > 999.0
QI-9050 MW > 999.0
QI-9154 MW > 999.0
QI-9291 MW > 999.0
QI-9314 MW > 999.0
QI-9429 MW > 999.0
QI-9652 MW > 999.0
QI-9807 MW > 999.0
QI-9824 MW > 999.0
QJ-0356 isotopes2h > 0
BB-5242 unacceptable_atom Li
QV-2821 unacceptable_atom Se
QV-2887 MW > 999.0
QV-3190 unacceptable_atom Cu
Line #373 Failed to load mol
QJ-6053 MW > 999.0
QJ-6091 MW > 999.0
QA-2822 unacceptable_atom Cs
QB-8211 non-hydrogen_atoms < 4
QB-8313 unacceptable_atom Cu
QB-8353 unacceptable_atom Ca
QB-8485 unacceptable_atom Ni
SH-6066 unacceptable_atom Mn
QB-5001 unacceptable_atom Ag
QC-1392 validation_error Sanitization error: Explicit valence for atom # 1 Sb, 7, is greater than permitted
QC-1405 unacceptable_atom Ca
QC-1473 MW > 999.0
QC-1542 unacceptable_atom Eu
QC-1550 unacceptable_atom Co
QC-1563 unacceptable_atom Ca
QC-1582 unacceptable_atom Ta
QC-1589 unacceptable_atom Mn
QC-1606 unacceptable_atom Fe
QC-1618 unacceptable_atom Mn
QC-1627 unacceptable_atom Mg
QC-1680 unacceptable_atom Co
QC-1709 unacceptable_atom Co
QC-1794 MW < 50.0
QC-1853 unacceptable_atom Ni
QC-1944 unacceptable_atom Ca
QA-8572 MW > 999.0
QA-9037 unacceptable_atom Pt
QC-4854 MW > 999.0
QC-4957 unacceptable_atom Na
QC-4989 unacceptable_atom Pt
QC-5026 MW > 999.0
QC-5040 unacceptable_atom V
QC-5045 unacceptable_atom Au
QC-5129 unacceptable_atom Co
QC-5209 unacceptable_atom Fe
SS-7304 unacceptable_atom Nd
SS-7327 unacceptable_atom Mn
SS-7371 unacceptable_atom Ni
SS-7473 unacceptable_atom Zr
QK-5920 unacceptable_atom Ca
QN-0802 MW > 999.0
QN-1201 MW < 50.0
QV-0482 unacceptable_atom Bi