41047 MW > 999.0 41190 MW > 999.0 41191 unacceptable_atom Pt C76137 unacceptable_atom Ir C76586 unacceptable_atom Ir C74763 MW > 999.0 C13968 unacceptable_atom Ir C14475 MW > 999.0 C14641 unacceptable_atom Rh C14629 MW > 999.0 Line #2 Failed to load mol Line #4 Failed to load mol Line #5 Failed to load mol Line #20 Failed to load mol 42749 MW > 999.0 Line #28 Failed to load mol 42822 MW > 999.0 Line #56 Failed to load mol W18284 isotopes2h > 0 AT11979 isotopes2h > 0 D74926 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted D74932 validation_error Explicit valence for atom # 2 C, 5, is greater than permitted D74934 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted D74947 validation_error Explicit valence for atom # 1 C, 5, is greater than permitted D75039 validation_error Explicit valence for atom # 5 C, 5, is greater than permitted C72990 MW > 999.0 C76835 MW > 999.0 D96769 isotopes2h > 0 D97567 unacceptable_atom Ir D97864 isotopes2h > 0 D98913 isotopes2h > 0 E70305 unacceptable_atom Ir C10461 validation_error Explicit valence for atom # 15 C, 5, is greater than permitted C10462 validation_error Explicit valence for atom # 14 C, 5, is greater than permitted A11809 unacceptable_atom Ir D87123 isotopes2h > 0 D88066 unacceptable_atom Ge D89533 MW < 50.0 D91356 no_acceptable_nonsalt_component D92657 unacceptable_atom Ru D92791 MW > 999.0 D93147 MW > 999.0 D76369 unacceptable_atom Tl AT12033 isotopes2h > 0 AT12048 isotopes2h > 0 D78126 unacceptable_atom Ir D78287 non-hydrogen_atoms < 4 D78326 MW > 999.0 D78354 unacceptable_atom Sb D78465 MW < 50.0 D78537 unacceptable_atom Ru AT16478 non-hydrogen_atoms < 4 44232 MW > 999.0 44217 MW > 999.0 44315 MW > 999.0 20529 unacceptable_atom Se P16742 validation_error Explicit valence for atom # 0 B, 5, is greater than permitted 40237 MW > 999.0 40224 MW > 999.0 W10733 isotopes2h > 0 70509 validation_error Explicit valence for atom # 1 N, 4, is greater than permitted E70390 MW > 999.0 E70430 unacceptable_atom As AT24149 MW > 999.0 AT25396 MW > 999.0 AT25927 isotopes2h > 0 AT25994 MW > 999.0 AC1285 unacceptable_atom Ce AC1952 isotopes2h > 0 Line #236 Failed to load mol Line #347 Failed to load mol Line #350 Failed to load mol Line #446 Failed to load mol 43380 MW > 999.0 Line #463 Failed to load mol 41988 MW > 999.0 C15276 unacceptable_atom Rh C15159 unacceptable_atom Pt C16033 ps > 0 C16397 unacceptable_atom Ru C16431 MW > 999.0 C16487 unacceptable_atom Au C16560 MW > 999.0 D81022 unacceptable_atom Ir D81159 unacceptable_atom Ir D81187 unacceptable_atom Ir D81216 unacceptable_atom Ir D81314 unacceptable_atom Ir D81649 unacceptable_atom Ni D81810 unacceptable_atom Ir D81821 MW > 999.0 D81833 MW > 999.0 A12356 unacceptable_atom Ag A12389 unacceptable_atom Se A12557 unacceptable_atom Pd A12648 MW > 999.0 A12653 ps > 0 A12843 unacceptable_atom Pd AC2661 unacceptable_atom Pd P19969 isotopes2h > 0 F16606 MW < 50.0 F16659 unacceptable_atom Cu F17216 unacceptable_atom Pd F17189 unacceptable_atom Ir F17193 unacceptable_atom Pd F17194 unacceptable_atom Pd F52502 unacceptable_atom Ir R10061 validation_error Explicit valence for atom # 1 B, 4, is greater than permitted Line #404 Failed to load mol D84081 MW > 999.0 D84126 unacceptable_atom Ru AB11827 unacceptable_atom Se P15916 isotopes2h > 0 P16069 isotopes2h > 0 49114 isotopes2h > 0 I11566 unacceptable_atom Rh H10908 unacceptable_atom Se D93604 validation_error Explicit valence for atom # 3 F, 2, is greater than permitted C13158 validation_error Explicit valence for atom # 29 B, 4, is greater than permitted C13789 MW > 999.0 P17895 isotopes2h > 0 P18070 isotopes2h > 0 F20804 unacceptable_atom Te AT18408 isotopes2h > 0 P19055 unacceptable_atom Pd D70195 unacceptable_atom Bi D71923 isotopes2h > 0 F20901 MW > 999.0 F21288 non-hydrogen_atoms < 4 F21303 unacceptable_atom Bi F21492 ps > 0 C10955 validation_error Explicit valence for atom # 3 C, 5, is greater than permitted Line #403 Failed to load mol D94322 validation_error Explicit valence for atom # 5 N, 4, is greater than permitted D94528 unacceptable_atom Rh D95090 unacceptable_atom Ir D95282 unacceptable_atom Se D95308 unacceptable_atom Se C72345 unacceptable_atom Se F10281 unacceptable_atom Pd F12828 validation_error Explicit valence for atom # 8 N, 4, is greater than permitted H10492 MW > 999.0 F14787 MW > 999.0 41041 MW > 999.0 23131 unacceptable_atom Pt 23900 unacceptable_atom Pt F11900 unacceptable_atom Pt W11921 isotopes2h > 0 Line #337 Failed to load mol Line #339 Failed to load mol Line #340 Failed to load mol T71827 MW < 50.0 T71844 unacceptable_atom Ni T72165 unacceptable_atom Se T72932 MW < 50.0 T73111 unacceptable_atom As A12027 MW < 50.0 A12057 unacceptable_atom Rh AT20766 isotopes2h > 0 D80357 unacceptable_atom Ir AT13256 MW > 999.0 D80327 unacceptable_atom Ir D80364 unacceptable_atom Ir D80445 unacceptable_atom Ir D80482 MW > 999.0 D80518 validation_error Explicit valence for atom # 5 N, 4, is greater than permitted F20529 unacceptable_atom Se F20625 unacceptable_atom Al C76615 MW > 999.0 C72358 MW > 999.0 D83142 unacceptable_atom Ru D83708 MW > 999.0 D83714 validation_error Explicit valence for atom # 11 C, 5, is greater than permitted D83727 validation_error Explicit valence for atom # 13 C, 5, is greater than permitted D84062 MW > 999.0 C74508 MW > 999.0 C73041 unacceptable_atom Ir AC2332 unacceptable_atom Ho AC2540 unacceptable_atom Sm AC2541 unacceptable_atom Sm AC2626 unacceptable_atom La AC2638 unacceptable_atom Yb AC2640 unacceptable_atom Y C10129 MW < 50.0 T70699 unacceptable_atom Se T70770 unacceptable_atom Te T70981 MW < 50.0 T71157 unacceptable_atom Se T71422 unacceptable_atom Ag A11838 MW < 50.0 T71532 MW > 999.0 T71646 unacceptable_atom Bi C90309 MW > 999.0 42442 MW > 999.0 W11835 MW < 50.0 41421 no_acceptable_nonsalt_component 41394 isotopes15n > 0 41395 isotopes13c > 0 41422 no_acceptable_nonsalt_component 41424 isotopes2h > 0 41453 isotopes15n > 0 35121 sss > 0