Oberotatug ravtansine
     RDKit          2D

 60 63  0  0  1  0  0  0  0  0999 V2000
   -9.1193    0.3525    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4508    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7148    0.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0463    0.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3102    0.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6417    0.8091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2426   -1.3800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1303   -3.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7257   -3.9088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1979   -2.2933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3942   -4.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7933   -2.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2012   -4.4825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5294   -1.6026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9897   -4.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1248   -1.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3266   -6.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2008    5.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810    6.6278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6820    6.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5843    4.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7772    4.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2487    2.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1163    5.4142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7007    5.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2889    4.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0186    8.0105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4502    1.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0966    2.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1145    4.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8906    6.2044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3113   -0.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6162    3.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625    6.9320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9463    1.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3724    7.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5226   -0.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6315    1.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8727    0.5479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0661   -1.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0708   -2.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3828   -3.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8598   -3.5882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -3.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5382   -4.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0260   -4.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6044   -2.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6950   -1.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6681   -2.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8447   -5.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8815   -4.7402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9598   -5.7142    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9354   -5.3320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3570   -6.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -1.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1924   -0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5239    0.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8554    1.1603    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2146   -0.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8332    1.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1 58  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  7  2  0
  5  6  1  0
  8 10  1  0
  8 11  1  0
  8 13  2  0
  9 15  1  0
  9 11  1  0
  9 12  1  0
 10 40  1  0
 11 17  1  0
 12 14  2  0
 12 16  1  0
 16 56  1  0
 18 22  1  0
 18 19  1  0
 18 25  1  0
 18 31  1  0
 19 20  1  0
 20 24  1  0
 20 27  2  0
 21 23  1  0
 21 22  1  0
 21 24  1  0
 23 38  1  0
 23 33  1  0
 25 30  1  0
 25 34  1  0
 26 30  2  0
 26 29  1  0
 28 32  1  0
 28 35  1  0
 28 29  2  0
 32 48  1  0
 34 36  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  0
 37 55  1  0
 38 39  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 42 51  2  0
 43 44  1  0
 43 50  1  0
 44 45  1  0
 44 49  2  0
 45 46  2  0
 45 52  1  0
 46 47  1  0
 46 53  1  0
 47 48  2  0
 48 49  1  0
 53 54  1  0
 56 57  1  0
 57 58  1  0
 57 59  1  0
 57 60  1  0
M  END
>  <s_m_entry_id>  (1) 
158

>  <s_m_entry_name>  (1) 
ravtansine_SPDB-DM4.1

>  <PUBCHEM_TOTAL_CHARGE>  (1) 
0

>  <PUBCHEM_COORDINATE_TYPE>  (1) 
1
3

>  <PUBCHEM_BONDANNOTATIONS>  (1) 
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>  (1) 
D:\Project\ADC\linker_payload

>  <s_m_Source_File>  (1) 
ravtansine_SPDB-DM4.sdf

>  <i_m_Source_File_Index>  (1) 
1

>  <i_lp_mmshare_version>  (1) 
61128

>  <i_f3d_flags>  (1) 
0

>  <r_lp_tautomer_probability>  (1) 
1

>  <s_lp_Force_Field>  (1) 
S-OPLS

>  <r_lp_Energy>  (1) 
34.487902

>  <b_lp_Chiralities_Consistent>  (1) 
1

>  <s_lp_Variant>  (1) 
Indatuximab ravtansine-1

>  <s_m_job_name>  (1) 
ligprep_13

>  <PUBCHEM_COMPOUND_ID_TYPE>  (1) 
0

>  <PUBCHEM_SUBSTANCE_ID>  (1) 
223370377

>  <PUBCHEM_SUBSTANCE_VERSION>  (1) 
5

>  <PUBCHEM_EXT_DATASOURCE_NAME>  (1) 
ChemIDplus

>  <PUBCHEM_EXT_DATASOURCE_REGID>  (1) 
1238517162

>  <PUBCHEM_SUBSTANCE_COMMENT>  (1) 
XGL4M23834
1238517162

>  <PUBCHEM_SUBSTANCE_SYNONYM>  (1) 
Indatuximab ravtansine [INN]
XGL4M23834
1238517-16-2
UNII-XGL4M23834
Indatuximab ravtansine

>  <PUBCHEM_GENERIC_REGISTRY_NAME>  (1) 
1238517-16-2

>  <PUBCHEM_XREF_EXT_ID>  (1) 
1238517162

>  <PUBCHEM_EXT_DATASOURCE_URL>  (1) 
https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus

>  <PUBCHEM_EXT_SUBSTANCE_URL>  (1) 
https://pubchem.ncbi.nlm.nih.gov/substance/?source=ChemIDplus&sourceid=1238517162

$$$$
