Oberotatug ravtansine
                    3D
 Schrodinger Suite 2023-1.
121124  0  0  1  0            999 V2000
    0.3194   -3.0506   -3.9593 S   0  0  0  0  0  0
    2.1016   -3.1614   -4.3057 C   0  0  0  0  0  0
    2.9469   -4.0474   -3.3739 C   0  0  0  0  0  0
    4.4424   -4.1309   -3.7580 C   0  0  0  0  0  0
    4.7249   -4.8446   -5.0891 C   0  0  0  0  0  0
    5.7107   -4.3567   -5.8448 N   0  0  0  0  0  0
    4.0731   -5.8287   -5.4322 O   0  0  0  0  0  0
    2.9783   -0.8791   -0.0532 C   0  0  0  0  0  0
    1.1563   -0.0186    1.3476 N   0  0  0  0  0  0
    2.8321    0.1783   -0.8953 O   0  0  0  0  0  0
    2.5537   -0.5521    1.3730 C   0  0  2  0  0  0
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    3.4218   -1.9844   -0.3676 O   0  0  0  0  0  0
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    0.1734   -2.3517    1.2441 C   0  0  0  0  0  0
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    6.4458    2.2866   -6.4084 C   0  0  0  0  0  0
    3.6012    3.2543   -6.3251 O   0  0  0  0  0  0
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    2.4106    1.2626   -3.0531 C   0  0  2  0  0  0
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    3.0962    0.0895   -2.2987 C   0  0  1  0  0  0
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    6.8456    0.0625   -1.5203 N   0  0  0  0  0  0
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    2.9654    2.8192   -1.5149 H   0  0  0  0  0  0
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    0.3714    4.3750   -2.5633 H   0  0  0  0  0  0
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M  END
> <s_m_entry_id>
158

> <s_m_entry_name>
ravtansine_SPDB-DM4.1

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
42  11  6
12  18  5
19  32  6
22  38  6
24  34  6
26  35  6
39  57  5
40  58  6

> <s_m_Source_Path>
D:\Project\ADC\linker_payload

> <s_m_Source_File>
ravtansine_SPDB-DM4.sdf

> <i_m_Source_File_Index>
1

> <i_lp_mmshare_version>
61128

> <i_f3d_flags>
0

> <r_lp_tautomer_probability>
1

> <s_lp_Force_Field>
S-OPLS

> <r_lp_Energy>
34.487902

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
Indatuximab ravtansine-1

> <s_m_job_name>
ligprep_13

> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_SUBSTANCE_ID>
223370377

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
1238517162

> <PUBCHEM_SUBSTANCE_COMMENT>
XGL4M23834
1238517162

> <PUBCHEM_SUBSTANCE_SYNONYM>
Indatuximab ravtansine [INN]
XGL4M23834
1238517-16-2
UNII-XGL4M23834
Indatuximab ravtansine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
1238517-16-2

> <PUBCHEM_XREF_EXT_ID>
1238517162

> <PUBCHEM_EXT_DATASOURCE_URL>
https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus

> <PUBCHEM_EXT_SUBSTANCE_URL>
https://pubchem.ncbi.nlm.nih.gov/substance/?source=ChemIDplus&sourceid=1238517162

$$$$
