Hi Brian,

When you pasted that into the email the formatting of the mol block did end
up screwed up, which makes this hard to reproduce.
Could you please attach the mol block to the message as a file?

-greg

On Thu, Oct 5, 2017 at 2:21 AM, Bennion, Brian <benni...@llnl.gov> wrote:

> Hello,
>
> After looking at the email list and seeing that this error has cropped up
> several times for aromatic/aliphatic heterocyclic nitrogens I still haven’t
> been able to resolve the valence =4 error for one of the azo groups in a
> molecule that has 7.  The first couple of azo groups seem to be interpreted
> fine.
>
> Am I doing something incorrect here or is the mol file not formatted
> properly?
>
> Thanks
>
> Brian
>
>
>
>
>
> [16:50:29] Explicit valence for atom # 85 N, 4, is greater than permitted
>
> [16:50:29] ERROR: Could not sanitize molecule ending on line 206
>
> [16:50:29] ERROR: Explicit valence for atom # 85 N, 4, is greater than
> permitted
>
>
>
> CHEMBL592333
>
>            3D
>
>
>
> 91 98  0  0  0  0  0  0  0  0999 V2000
>
>     8.3826   -4.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     7.6967   -2.8968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>     8.5551   -1.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     9.9817   -1.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>    10.7075   -3.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     9.8956   -4.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     9.5145    2.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     9.8798    0.8284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>    11.3118    0.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>    12.3905    1.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>    12.0187    2.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>    10.6272    3.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     9.8204    4.3866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>     7.9490    5.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     8.5179    4.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     4.3822    5.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>     7.6673    2.8820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>     6.4150    5.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     5.5680    4.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     6.1262    3.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>    11.0958   -0.9118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>     4.5054   -4.0612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>     6.0427   -3.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     6.8866   -5.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     6.3028   -6.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     4.7637   -6.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     3.9029   -5.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     2.7159   -5.9831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>     0.6356   -5.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     1.9599   -4.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     3.1331    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     3.0734    4.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     1.8216    2.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>    -2.1064   -0.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>    -1.6580    0.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>    -1.8630   -3.0392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>    -1.1133   -1.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     0.5294    3.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     1.7976    5.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>     0.4790    4.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>    -0.1940    0.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>    -0.2800    2.2297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>     0.3560   -1.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     0.7840   -0.1761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>     2.0400   -3.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>    -0.6446   -4.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>    -0.5472   -3.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     0.7300   -2.5970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>     8.1699   -5.4891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>    -0.9196    6.9314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
>
>     3.3718   -2.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     3.4375   -1.2457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
>
>    12.2233   -2.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>     7.3609   -7.5406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>    -1.9851   -5.4581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>     4.4420    2.6027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>    13.8111    0.9358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>    -3.5451   -1.3353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>     0.5839   -7.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>    10.5449   -5.6259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>     4.2197   -8.0395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>    13.2649    3.7658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>    -0.8506    5.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>    -2.6861    1.6826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>     1.8710    1.0374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>     6.7424    4.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     8.1208    4.6949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
>
>     5.0210   -4.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>     4.8553   -6.2914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
>
>     9.6021   -2.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>    11.1193   -2.6926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
>
>    -0.3366   -0.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>    -1.8968   -0.3852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
>
>     8.7855    6.7340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>     5.3923    6.7330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
>
>    10.8786    1.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
>
>    12.0747    2.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
>
>    -2.4480   -1.8457    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
>
>    -3.5497   -2.9029    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
>
>    -2.2517    7.6211    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
>
>    -3.5805    8.3170    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
>
>     9.2243    5.6060    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
>
>    10.5994    6.3590    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
>
>    13.4890    2.2193    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
>
>    15.0494    2.4295    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
>
>    11.6943   -4.1991    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
>
>    12.8782   -5.1236    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
>
>     3.4537   -7.0177    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
>
>     2.4539   -8.1103    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
>
>     4.7687   -0.5531    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
>
>     6.1360    0.0648    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
>
>   7 12  1  0  0  0  0
>
> 31 33  1  0  0  0  0
>
>   9  8  1  0  0  0  0
>
> 63 50  1  0  0  0  0
>
>   9 10  1  0  0  0  0
>
> 45 51  1  0  0  0  0
>
> 34 35  1  0  0  0  0
>
> 51 52  1  0  0  0  0
>
> 10 11  1  0  0  0  0
>
> 36 37  1  0  0  0  0
>
> 34 37  1  0  0  0  0
>
> 38 33  1  0  0  0  0
>
> 12 11  1  0  0  0  0
>
> 13 12  1  0  0  0  0
>
> 38 40  1  0  0  0  0
>
>   5 53  1  0  0  0  0
>
> 32 39  1  0  0  0  0
>
> 25 54  1  0  0  0  0
>
> 39 40  1  0  0  0  0
>
> 46 55  1  0  0  0  0
>
> 35 64  1  0  0  0  0
>
> 41 35  1  0  0  0  0
>
> 31 56  1  0  0  0  0
>
>   5  6  1  0  0  0  0
>
> 10 57  1  0  0  0  0
>
> 41 42  1  0  0  0  0
>
> 34 58  1  0  0  0  0
>
> 38 42  1  0  0  0  0
>
> 29 59  1  0  0  0  0
>
> 37 43  1  0  0  0  0
>
>   6 60  1  0  0  0  0
>
>   7  8  1  0  0  0  0
>
> 26 61  1  0  0  0  0
>
> 43 44  1  0  0  0  0
>
> 11 62  1  0  0  0  0
>
> 41 44  1  0  0  0  0
>
>   9 21  1  0  0  0  0
>
> 40 63  1  0  0  0  0
>
> 22 23  1  0  0  0  0
>
> 13 15  1  0  0  0  0
>
> 14 15  1  0  0  0  0
>
> 33 65  1  0  0  0  0
>
>   1  2  1  0  0  0  0
>
> 20 66  1  0  0  0  0
>
> 15 17  1  0  0  0  0
>
> 66 67  1  0  0  0  0
>
> 30 45  1  0  0  0  0
>
> 23 68  1  0  0  0  0
>
>   1  6  1  0  0  0  0
>
> 68 69  1  0  0  0  0
>
>   2  3  1  0  0  0  0
>
>   3 70  1  0  0  0  0
>
> 27 22  1  0  0  0  0
>
> 70 71  1  0  0  0  0
>
> 23 24  1  0  0  0  0
>
> 43 72  1  0  0  0  0
>
> 45 48  1  0  0  0  0
>
> 72 73  1  0  0  0  0
>
> 29 46  1  0  0  0  0
>
> 46 47  1  0  0  0  0
>
> 47 48  1  0  0  0  0
>
> 14 74  1  0  0  0  0
>
> 36 47  1  0  0  0  0
>
> 18 75  1  0  0  0  0
>
> 24 25  1  0  0  0  0
>
> 25 26  1  0  0  0  0
>
> 26 27  1  0  0  0  0
>
>   7 76  1  0  0  0  0
>
> 28 27  1  0  0  0  0
>
> 76 77  1  0  0  0  0
>
>   3  4  1  0  0  0  0
>
> 73 78  2  3  0  0  0
>
>   4  5  1  0  0  0  0
>
> 78 79  2  0  0  0  0
>
> 17 20  1  0  0  0  0
>
> 50 80  2  3  0  0  0
>
> 14 18  1  0  0  0  0
>
> 80 81  2  0  0  0  0
>
> 28 30  1  0  0  0  0
>
> 67 82  2  3  0  0  0
>
> 29 30  1  0  0  0  0
>
> 82 83  2  0  0  0  0
>
> 24 49  1  0  0  0  0
>
> 77 84  2  3  0  0  0
>
> 18 19  1  0  0  0  0
>
> 84 85  2  0  0  0  0
>
>   4 21  1  0  0  0  0
>
> 71 86  2  0  0  0  0
>
>   1 49  1  0  0  0  0
>
> 86 87  2  0  0  0  0
>
> 19 20  1  0  0  0  0
>
> 69 88  2  3  0  0  0
>
> 31 32  1  0  0  0  0
>
> 88 89  2  0  0  0  0
>
> 16 32  1  0  0  0  0
>
> 52 90  2  3  0  0  0
>
> 16 19  1  0  0  0  0
>
> 90 91  2  0  0  0  0
>
> M  CHG  1  78   1
>
> M  CHG  1  79  -1
>
> M  CHG  1  80   1
>
> M  CHG  1  81  -1
>
> M  CHG  1  82   1
>
> M  CHG  1  83  -1
>
> M  CHG  1  84   1
>
> M  CHG  1  85  -1
>
> M  CHG  1  88   1
>
> M  CHG  1  89  -1
>
> M  CHG  1  90   1
>
> M  CHG  1  91  -1
>
> M  END
>
> >  <chembl_id>  (540484)
>
> CHEMBL592333
>
> $$$$
>
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